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name Structure Reference Source Properties Activities Metabolism

3-ethenyl-2-({2-methyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-yl}methyl)-11-(1-methylpyrrolidin-2-yl)-1H,2H,3H,4H,6H,7H,12H,12bH-indolo[2,3-a]quinolizin-10-ol

AlkaPlorer ID: AK133263

Synonym: None

IUPAC Name: (2S,3R,12bS)-3-ethenyl-11-[(2S)-1-methylpyrrolidin-2-yl]-2-[[(1S)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methyl]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-10-ol

Structure

SMILES: C=C[C@H]1CN2CCC3=C(NC4=C3C=CC(O)=C4[C@@H]3CCCN3C)[C@@H]2C[C@@H]1C[C@H]1C2=C(CCN1C)C1=CC=CC=C1N2

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InChI: InChI=1S/C35H43N5O/c1-4-21-20-40-17-14-26-24-11-12-31(41)32(28-10-7-15-38(28)2)35(24)37-34(26)30(40)19-22(21)18-29-33-25(13-16-39(29)3)23-8-5-6-9-27(23)36-33/h4-6,8-9,11-12,21-22,28-30,36-37,41H,1,7,10,13-20H2,2-3H3/t21-,22-,28-,29-,30-/m0/s1

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InChIKey: PHLJPJICTIGOKC-RZVVXSKCSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Strychnos usambarensis Strychnos Loganiaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 549.7630000000004

TPSA？: 61.53000000000001

MolLogP？: 6.462100000000006

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens 786-0 GI50 436.52 nM None
Homo sapiens A498 GI50 1633.05 nM None
Homo sapiens A549 GI50 763.84 nM None
Homo sapiens ACHN GI50 1923.09 nM None
Homo sapiens BT-549 GI50 1745.82 nM None
Homo sapiens CAKI-1 GI50 1606.94 nM None
Homo sapiens CCRF-CEM GI50 188.36 nM None
Homo sapiens COLO 205 GI50 1261.83 nM None
Homo sapiens DU-145 GI50 1475.71 nM None
Homo sapiens EKVX GI50 1581.25 nM None
Homo sapiens HCC 2998 GI50 177.01 nM None
Homo sapiens HCT-116 GI50 238.78 nM None
Homo sapiens HCT-15 GI50 1020.94 nM None
Homo sapiens HL-60 GI50 409.26 nM None
Homo sapiens HOP-62 GI50 1312.2 nM None
Homo sapiens HOP-92 GI50 1191.24 nM None
Homo sapiens Hs-578T GI50 1517.05 nM None
Homo sapiens HT-29 GI50 1396.37 nM None
Homo sapiens IGROV-1 GI50 1309.18 nM None
Homo sapiens K562 GI50 254.68 nM None
Homo sapiens KM12 GI50 1412.54 nM None
Homo sapiens LOX IMVI GI50 179.06 nM None
Homo sapiens M14 GI50 306.9 nM None
Homo sapiens MCF7 GI50 1749.85 nM None
Homo sapiens MDA-MB-231 GI50 1633.05 nM None
Homo sapiens MDA-MB-435 GI50 1475.71 nM None
Homo sapiens MDA-N GI50 489.78 nM None
Homo sapiens MOLT-4 GI50 316.23 nM None
Homo sapiens NCI/ADR-RES GI50 1610.65 nM None
Homo sapiens NCI-H226 GI50 1671.09 nM None
Homo sapiens NCI-H23 GI50 1845.02 nM None
Homo sapiens NCI-H322M GI50 1588.55 nM None
Homo sapiens NCI-H460 GI50 1492.79 nM None
Homo sapiens OVCAR-3 GI50 1361.44 nM None
Homo sapiens OVCAR-4 GI50 1422.33 nM None
Homo sapiens OVCAR-5 GI50 1849.27 nM None
Homo sapiens OVCAR-8 GI50 1694.34 nM None
Homo sapiens PC-3 GI50 1406.05 nM None
Homo sapiens RPMI-8226 GI50 349.95 nM None
Homo sapiens RXF 393 GI50 214.78 nM None
Homo sapiens SF-268 GI50 1475.71 nM None
Homo sapiens SF-295 GI50 1011.58 nM None
Homo sapiens SF-539 GI50 1573.98 nM None
Homo sapiens SK-MEL-2 GI50 1905.46 nM None
Homo sapiens SK-MEL-28 GI50 1548.82 nM None
Homo sapiens SK-MEL-5 GI50 1663.41 nM None
Homo sapiens SK-OV-3 GI50 1621.81 nM None
Homo sapiens SN12C GI50 1538.15 nM None
Homo sapiens SNB-19 GI50 1303.17 nM None
Homo sapiens SNB-75 GI50 812.83 nM None
Homo sapiens SR GI50 252.93 nM None
Homo sapiens SW-620 GI50 1233.1 nM None
Homo sapiens T47D GI50 1482.52 nM None
Homo sapiens TK-10 GI50 1592.21 nM None
Homo sapiens U-251 GI50 1492.79 nM None
Homo sapiens UACC-257 GI50 3176.87 nM None
Homo sapiens UACC-62 GI50 1682.67 nM None
Homo sapiens UO-31 GI50 1076.47 nM None

Metabolism Information