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name Structure Reference Source Properties Activities Metabolism

(20S,21R)-4,5,10,11-tetramethoxy-16-azapentacyclo[12.7.0.0²,⁷.0⁸,¹³.0¹⁶,²⁰]henicosa-1(14),2,4,6,8,10,12-heptaen-21-ol

AlkaPlorer ID: AK028252

Synonym: None

IUPAC Name: (13aS,14R)-2,3,6,7-tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol

Structure

SMILES: COC1=CC2=C3CN4CCC[C@H]4[C@H](O)C3=C3C=C(OC)C(OC)=CC3=C2C=C1OC

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InChI: InChI=1S/C24H27NO5/c1-27-19-8-13-14-9-20(28-2)22(30-4)11-16(14)23-17(15(13)10-21(19)29-3)12-25-7-5-6-18(25)24(23)26/h8-11,18,24,26H,5-7,12H2,1-4H3/t18-,24-/m0/s1

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InChIKey: JWHWLMNMGLICQZ-UUOWRZLLSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Tylophora asthmatica Tylophora Apocynaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 409.48200000000026

TPSA？: 60.390000000000015

MolLogP？: 4.038800000000004

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens A549 Inhibition 5.2 % 10.1016/j.ejmech.2012.02.048
Homo sapiens A549 Inhibition 8.2 % 10.1016/j.ejmech.2012.02.048
Homo sapiens A549 Inhibition 50.0 % 10.1016/j.ejmech.2012.02.048
Homo sapiens HL-60 Inhibition 3.9 % 10.1016/j.ejmech.2012.02.048
Homo sapiens HL-60 Inhibition 8.2 % 10.1016/j.ejmech.2012.02.048
Homo sapiens HL-60 Inhibition 49.8 % 10.1016/j.ejmech.2012.02.048
Homo sapiens PANC-1 GI50 nan None 10.1016/j.bmcl.2007.05.021
Homo sapiens Proto-oncogene c-JUN IC50 300.0 nM 10.1016/j.bmcl.2007.05.021
Mus musculus RAW264.7 IC50 350.0 nM 10.1021/ml500255j
Mus musculus RAW264.7 IC50 1057.0 nM 10.1021/ml500255j
None NON-PROTEIN TARGET IC50 370.0 nM 10.1021/ml500255j
None NON-PROTEIN TARGET IC50 1292.0 nM 10.1021/ml500255j
None T-cell Activity 29.0 % 10.1021/ml500255j
None Unchecked IC50 300.0 nM 10.1016/j.bmcl.2007.05.021
None Unchecked IC50 315.0 nM 10.1016/j.bmcl.2007.05.021

Metabolism Information