General Information of the Compound
| Compound ID |
CP0402220
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| Compound Name |
methyl (E)-2-[(2S,3R,12bS)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
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| Synonyms |
(16E)-16,17,18,19-Tetradehydro-17-methoxycorynan-16-carboxylic acid methyl ester
17,18-Secoyohimban-16-carboxylic acid, 16,17,18,19-tetradehydro-17-methoxy-, methyl ester, (E)-
18904-54-6
AC1MHD3Z
BRN 0096586
CORYNANTHEINE
Corynantheine
Hirsuteine
LS-144745
MolPort-039-338-502
SCHEMBL3084853
ZINC85909641
methyl (Z)-2-[(2S,3R,12bS)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methox
methyl (Z)-2-[(2S,3R,12bS)-3-vinyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxy-prop-2-enoate
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| Structure |
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| Formula |
C22H26N2O3
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| Molecular Weight |
366.461
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| Canonical SMILES |
CO\C=C(/[C@H]1C[C@@H]2N(CCc3c2[nH]c2ccccc32)C[C@@H]1C=C)C(=O)OC
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| InChI |
InChI=1S/C22H26N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h4-8,13-14,17,20,23H,1,9-12H2,2-3H3/b18-13+/t14-,17-,20-/m0/s1
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| InChIKey |
TZUGIFAYWNNSAO-XPOGPMDLSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound