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name Structure Reference Source Properties Activities Metabolism

(3S,22S)-10,11,16,27-tetramethoxy-4-methyl-13,29-dioxa-4,21-diazaheptacyclo[28.2.2.1¹⁴,¹⁸.1²⁴,²⁸.0³,⁸.0⁷,¹².0²²,³⁶]hexatriaconta-1(32),7,9,11,14(36),15,17,24(35),25,27,30,33-dodecaen-15-ol

AlkaPlorer ID: AK060759

Synonym: None

IUPAC Name: (3S,22S)-10,11,16,27-tetramethoxy-4-methyl-13,29-dioxa-4,21-diazaheptacyclo[28.2.2.114,18.124,28.03,8.07,12.022,36]hexatriaconta-1(33),7(12),8,10,14(36),15,17,24(35),25,27,30(34),31-dodecaen-15-ol

Structure

SMILES: COC1=CC=C2C=C1OC1=CC=C(C=C1)C[C@H]1C3=CC(OC)=C(OC)C(=C3CCN1C)OC1=C(O)C(OC)=CC3=C1[C@H](C2)NCC3

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InChI: InChI=1S/C37H40N2O7/c1-39-15-13-25-26-20-32(43-4)36(44-5)35(25)46-37-33-23(19-31(42-3)34(37)40)12-14-38-27(33)16-22-8-11-29(41-2)30(18-22)45-24-9-6-21(7-10-24)17-28(26)39/h6-11,18-20,27-28,38,40H,12-17H2,1-5H3/t27-,28-/m0/s1

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InChIKey: MSEKZZNGEVAPPO-NSOVKSMOSA-N

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Source

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

Properties Information

Molecule Weight: 624.7340000000002

TPSA？: 90.88

MolLogP？: 6.525800000000008

Number of H-Donors: 2

Number of H-Acceptors: 9

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens HT-29 IC50 8200.0 nM 10.1021/np501028u
Leishmania donovani Leishmania donovani IC50 280.0 nM 10.1021/np501028u
Leishmania donovani Leishmania donovani Inhibition nan % 10.1021/np501028u
Mus musculus Mus musculus Activity nan None 10.1021/np501028u
None Unchecked Ratio IC50 29.3 None 10.1021/np501028u

Metabolism Information