3-ethenyl-2-({2-methyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-3-yl}methyl)-11-(1-methylpyrrolidin-2-yl)-1H,2H,3H,4H,6H,7H,12H,12bH-indolo[2,3-a]quinolizin-10-ol
AlkaPlorer ID: AK077284
Synonym: None
IUPAC Name: (2S,3R,12bS)-3-ethenyl-11-[(2R)-1-methylpyrrolidin-2-yl]-2-[[(3S)-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-3-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]1CC2=C(CN1C)C1=CC=CC=C1N2
InChI: InChI=1S/C35H43N5O/c1-4-21-19-40-15-13-26-25-11-12-32(41)33(30-10-7-14-38(30)2)35(25)37-34(26)31(40)17-22(21)16-23-18-29-27(20-39(23)3)24-8-5-6-9-28(24)36-29/h4-6,8-9,11-12,21-23,30-31,36-37,41H,1,7,10,13-20H2,2-3H3/t21-,22-,23-,30+,31-/m0/s1
InChIKey: ZCBSLYDVSNAXCN-FCOHWGBESA-N
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？: 6.289600000000006
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|