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Hernandezine

AlkaPlorer ID: AK040448

Synonym: '', 'Hernandezine'

IUPAC Name: (1S,14S)-9,19,20,21,25-pentamethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18(33),19,21,24,26,31-dodecaene

Structure

SMILES: COC1=CC=C2C=C1OC1=CC=C(C=C1)C[C@H]1C3=C(C=C(OC)C(=C3)OC3=C4C(=C(OC)C(OC)=C3OC)CCN(C)[C@H]4C2)CCN1C

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InChI: InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1

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InChIKey: FUZMQNZACIFDBL-KYJUHHDHSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Thalictrum delavayi Thalictrum Ranunculaceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 652.7879999999999

TPSA？: 71.09

MolLogP？: 7.171000000000008

Number of H-Donors: 0

Number of H-Acceptors: 9

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Electrophorus electricus Acetylcholinesterase Inhibition 23.38 % 10.1016/j.bmc.2012.09.040
Equus caballus Cholinesterase Inhibition -7.66 % 10.1016/j.bmc.2012.09.040
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Potency 17740.7 nM None
Homo sapiens A-375 Activity 1.24 % 10.1021/acs.jnatprod.2c00098
Homo sapiens A-375 Activity 1.43 % 10.1021/acs.jnatprod.2c00098
Homo sapiens A-375 Activity 4.1 % 10.1021/acs.jnatprod.2c00098
Homo sapiens A-375 Activity 4.78 % 10.1021/acs.jnatprod.2c00098
Homo sapiens A-375 Activity 6.77 % 10.1021/acs.jnatprod.2c00098
Homo sapiens A-375 Activity 9.4 % 10.1021/acs.jnatprod.2c00098
Homo sapiens A-375 Activity 9.5 % 10.1021/acs.jnatprod.2c00098
Homo sapiens A-375 Activity 10.1 % 10.1021/acs.jnatprod.2c00098
Homo sapiens A-375 Activity 18.2 % 10.1021/acs.jnatprod.2c00098
Homo sapiens A-375 Activity 18.9 % 10.1021/acs.jnatprod.2c00098
Homo sapiens A-375 Activity 19.2 % 10.1021/acs.jnatprod.2c00098
Homo sapiens A-375 Activity 19.6 % 10.1021/acs.jnatprod.2c00098
Homo sapiens A-375 Activity 22.28 % 10.1021/acs.jnatprod.2c00098
Homo sapiens A-375 Activity 22.36 % 10.1021/acs.jnatprod.2c00098
Homo sapiens A-375 Activity 23.9 % 10.1021/acs.jnatprod.2c00098
Homo sapiens A-375 Activity 24.36 % 10.1021/acs.jnatprod.2c00098
Homo sapiens A-375 Activity 27.1 % 10.1021/acs.jnatprod.2c00098
Homo sapiens A-375 Activity 34.8 % 10.1021/acs.jnatprod.2c00098
Homo sapiens A-375 Activity 47.0 % 10.1021/acs.jnatprod.2c00098
Homo sapiens A-375 Activity 48.1 % 10.1021/acs.jnatprod.2c00098
Homo sapiens A-375 Activity 53.4 % 10.1021/acs.jnatprod.2c00098
Homo sapiens A-375 Activity 63.0 % 10.1021/acs.jnatprod.2c00098
Homo sapiens A-375 Activity 63.87 % 10.1021/acs.jnatprod.2c00098
Homo sapiens A-375 Activity 70.87 % 10.1021/acs.jnatprod.2c00098
Homo sapiens A-375 Activity 76.28 % 10.1021/acs.jnatprod.2c00098
Homo sapiens A-375 Activity 76.87 % 10.1021/acs.jnatprod.2c00098
Homo sapiens A-375 Activity 79.56 % 10.1021/acs.jnatprod.2c00098
Homo sapiens A-375 Activity nan None 10.1021/acs.jnatprod.2c00098
Homo sapiens A-375 IC50 7200.0 nM 10.1021/acs.jnatprod.2c00098
Homo sapiens A-375 Inhibition nan % 10.1021/acs.jnatprod.2c00098
Homo sapiens A549 IC50 7590.0 nM 10.1021/acs.jnatprod.2c00098
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 31622.8 nM None
Homo sapiens Hep 3B2 IC50 6710.0 nM 10.1021/acs.jnatprod.2c00098
Homo sapiens HepG2 IC50 7420.0 nM 10.1021/acs.jnatprod.2c00098
Homo sapiens KB 3-1 Activity 0.2 % 10.1021/acs.jnatprod.6b00597
Homo sapiens KB 3-1 Activity 4.4 % 10.1021/acs.jnatprod.6b00597
Homo sapiens KB 3-1 Activity 5.1 % 10.1021/acs.jnatprod.6b00597
Homo sapiens KB 3-1 Activity 6.6 % 10.1021/acs.jnatprod.6b00597
Homo sapiens KB 3-1 Activity 26.4 % 10.1021/acs.jnatprod.6b00597
Homo sapiens KB 3-1 Activity 31.1 % 10.1021/acs.jnatprod.6b00597
Homo sapiens KB 3-1 Activity 37.4 % 10.1021/acs.jnatprod.6b00597
Homo sapiens KB 3-1 Activity 88.8 % 10.1021/acs.jnatprod.6b00597
Homo sapiens KB-V1 Activity 1.0 % 10.1021/acs.jnatprod.6b00597
Homo sapiens KB-V1 Activity 4.7 % 10.1021/acs.jnatprod.6b00597
Homo sapiens KB-V1 Activity 6.7 % 10.1021/acs.jnatprod.6b00597
Homo sapiens KB-V1 Activity 87.6 % 10.1021/acs.jnatprod.6b00597
Homo sapiens Multidrug resistance-associated protein 1 IC50 38320.0 nM 10.1021/acs.jnatprod.6b00597
Homo sapiens Multidrug resistance-associated protein 1 Inhibition nan % 10.1021/acs.jnatprod.6b00597
Homo sapiens Multidrug resistance-associated protein 1 Ratio 547.0 None 10.1021/acs.jnatprod.6b00597
Homo sapiens NCI-H1299 IC50 6740.0 nM 10.1021/acs.jnatprod.2c00098
Homo sapiens P-glycoprotein 1 Activity 20.0 nM 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 Activity nan None 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 FC 7.0 None 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 IC50 1.59 nM 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 IC50 21.42 nM 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 IC50 25.27 nM 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 IC50 32.43 nM 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 IC50 43.93 nM 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 IC50 75.77 nM 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 IC50 79.31 nM 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 IC50 100.0 nM 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 IC50 100.25 nM 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 IC50 109.0 nM 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 IC50 115.02 nM 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 IC50 118.02 nM 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 IC50 187.84 nM 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 IC50 204.61 nM 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 IC50 223.72 nM 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 IC50 230.0 nM 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 IC50 280.0 nM 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 IC50 300.0 nM 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 IC50 304.03 nM 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 IC50 550.0 nM 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 IC50 571.36 nM 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 IC50 700.0 nM 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 IC50 969.58 nM 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 IC50 1009.5 nM 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 IC50 1310.0 nM 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 IC50 1420.0 nM 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 IC50 2660.5 nM 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 IC50 2810.0 nM 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 IC50 3220.21 nM 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 Inhibition 6.5 % 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 Inhibition 15.5 % 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 Inhibition 31.1 % 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 Inhibition 46.9 % 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 Inhibition nan % 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 Ki 20.0 nM 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 Ratio 1.0 None 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 Ratio 2.0 None 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 Ratio 3.0 None 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 Ratio 4.0 None 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 Ratio 5.0 None 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 Ratio 7.0 None 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 Ratio 8.0 None 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 Ratio 9.0 None 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 Ratio 10.0 None 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 Ratio 11.0 None 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 Ratio 13.0 None 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 Ratio 16.0 None 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 Ratio 19.0 None 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 Ratio 21.0 None 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 Ratio 23.0 None 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 Ratio 26.0 None 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 Ratio 31.0 None 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 Ratio 34.0 None 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 Ratio 46.0 None 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 Ratio 169.0 None 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 Ratio 196.0 None 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 Ratio 325.0 None 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 Ratio 433.0 None 10.1021/acs.jnatprod.6b00597
Homo sapiens P-glycoprotein 1 Ratio 505.0 None 10.1021/acs.jnatprod.6b00597
Homo sapiens Runt-related transcription factor 1/Core-binding factor subunit beta Potency 28183.8 nM None
Homo sapiens Signal transducer and activator of transcription 3 Inhibition nan % 10.1021/acs.jnatprod.2c00098
Homo sapiens Tyrosine-protein kinase JAK2 Inhibition nan % 10.1021/acs.jnatprod.2c00098
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 35481.3 nM None
Homo sapiens Vitamin D receptor Potency 44668.4 nM None
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 reverse transcriptase IC50 200.0 ug.mL-1 10.1021/np50073a012
Mus musculus B16 Activity 2.98 % 10.1021/acs.jnatprod.2c00098
Mus musculus B16 Activity 3.27 % 10.1021/acs.jnatprod.2c00098
Mus musculus B16 Activity 4.58 % 10.1021/acs.jnatprod.2c00098
Mus musculus B16 Activity 4.6 % 10.1021/acs.jnatprod.2c00098
Mus musculus B16 Activity 6.92 % 10.1021/acs.jnatprod.2c00098
Mus musculus B16 Activity 8.47 % 10.1021/acs.jnatprod.2c00098
Mus musculus B16 Activity 8.78 % 10.1021/acs.jnatprod.2c00098
Mus musculus B16 Activity 12.63 % 10.1021/acs.jnatprod.2c00098
Mus musculus B16 Activity 12.9 % 10.1021/acs.jnatprod.2c00098
Mus musculus B16 Activity 14.1 % 10.1021/acs.jnatprod.2c00098
Mus musculus B16 Activity 14.4 % 10.1021/acs.jnatprod.2c00098
Mus musculus B16 Activity 14.5 % 10.1021/acs.jnatprod.2c00098
Mus musculus B16 Activity 16.0 % 10.1021/acs.jnatprod.2c00098
Mus musculus B16 Activity 16.4 % 10.1021/acs.jnatprod.2c00098
Mus musculus B16 Activity 17.8 % 10.1021/acs.jnatprod.2c00098
Mus musculus B16 Activity 19.2 % 10.1021/acs.jnatprod.2c00098
Mus musculus B16 Activity 20.6 % 10.1021/acs.jnatprod.2c00098
Mus musculus B16 Activity 20.64 % 10.1021/acs.jnatprod.2c00098
Mus musculus B16 Activity 23.42 % 10.1021/acs.jnatprod.2c00098
Mus musculus B16 Activity 23.84 % 10.1021/acs.jnatprod.2c00098
Mus musculus B16 Activity 25.6 % 10.1021/acs.jnatprod.2c00098
Mus musculus B16 Activity 25.8 % 10.1021/acs.jnatprod.2c00098
Mus musculus B16 Activity 72.0 % 10.1021/acs.jnatprod.2c00098
Mus musculus B16 Activity 72.89 % 10.1021/acs.jnatprod.2c00098
Mus musculus B16 Activity 76.38 % 10.1021/acs.jnatprod.2c00098
Mus musculus B16 Activity 78.59 % 10.1021/acs.jnatprod.2c00098
Mus musculus B16 Activity 84.61 % 10.1021/acs.jnatprod.2c00098
Mus musculus B16 Activity nan None 10.1021/acs.jnatprod.2c00098
Mus musculus B16 IC50 5900.0 nM 10.1021/acs.jnatprod.2c00098
Mus musculus B16 Inhibition nan % 10.1021/acs.jnatprod.2c00098
None Molecular identity unknown Activity nan None 10.1021/acs.jnatprod.6b00597
None NON-PROTEIN TARGET Activity nan None 10.1021/acs.jnatprod.6b00597
None NON-PROTEIN TARGET IC50 0.59 nM 10.1021/acs.jnatprod.6b00597
None NON-PROTEIN TARGET IC50 0.62 nM 10.1021/acs.jnatprod.6b00597
None NON-PROTEIN TARGET IC50 0.63 nM 10.1021/acs.jnatprod.6b00597
None NON-PROTEIN TARGET IC50 1.21 nM 10.1021/acs.jnatprod.6b00597
None NON-PROTEIN TARGET IC50 3.85 nM 10.1021/acs.jnatprod.6b00597
None NON-PROTEIN TARGET IC50 4.94 nM 10.1021/acs.jnatprod.6b00597
None NON-PROTEIN TARGET IC50 5.63 nM 10.1021/acs.jnatprod.6b00597
None NON-PROTEIN TARGET IC50 6.02 nM 10.1021/acs.jnatprod.6b00597
None NON-PROTEIN TARGET IC50 6.14 nM 10.1021/acs.jnatprod.6b00597
None NON-PROTEIN TARGET IC50 6.38 nM 10.1021/acs.jnatprod.6b00597
None NON-PROTEIN TARGET IC50 6.81 nM 10.1021/acs.jnatprod.6b00597
None NON-PROTEIN TARGET IC50 6.99 nM 10.1021/acs.jnatprod.6b00597
None NON-PROTEIN TARGET IC50 9.15 nM 10.1021/acs.jnatprod.6b00597
None NON-PROTEIN TARGET IC50 9.29 nM 10.1021/acs.jnatprod.6b00597
None NON-PROTEIN TARGET IC50 9.33 nM 10.1021/acs.jnatprod.6b00597
None NON-PROTEIN TARGET IC50 9.77 nM 10.1021/acs.jnatprod.6b00597
None NON-PROTEIN TARGET IC50 20.45 nM 10.1021/acs.jnatprod.6b00597
None NON-PROTEIN TARGET IC50 22.11 nM 10.1021/acs.jnatprod.6b00597
None NON-PROTEIN TARGET IC50 22.75 nM 10.1021/acs.jnatprod.6b00597
None NON-PROTEIN TARGET IC50 24.53 nM 10.1021/acs.jnatprod.6b00597
None NON-PROTEIN TARGET IC50 70.0 nM 10.1021/acs.jnatprod.6b00597
None NON-PROTEIN TARGET IC50 100.0 nM 10.1021/acs.jnatprod.6b00597
None NON-PROTEIN TARGET IC50 110.0 nM 10.1021/acs.jnatprod.6b00597
None NON-PROTEIN TARGET IC50 120.0 nM 10.1021/acs.jnatprod.6b00597
None NON-PROTEIN TARGET IC50 130.0 nM 10.1021/acs.jnatprod.6b00597
None NON-PROTEIN TARGET IC50 140.0 nM 10.1021/acs.jnatprod.6b00597
None NON-PROTEIN TARGET IC50 150.0 nM 10.1021/acs.jnatprod.6b00597
None Unchecked Activity nan None 10.1021/acs.jnatprod.2c00098
None Unchecked IC50 85.08 nM 10.1021/acs.jnatprod.6b00597
None Unchecked Inhibition nan % 10.1021/acs.jnatprod.6b00597
None Unchecked Potency 10000.0 nM None
None Unchecked Potency 35481.3 nM None
None Unchecked Ratio 70.0 None 10.1021/acs.jnatprod.6b00597

Metabolism Information