Strychnogucine C
AlkaPlorer ID: AK042752
Synonym: '', 'Strychnogucine C'
IUPAC Name: (4aR,5aS,8aR,13aS,15S,15aR,15bS)-15-[(1R,12R,13R,14E,17R,19S,21S)-14-ethylidene-9-oxo-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,10-tetraen-17-yl]-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
Structure
SMILES: C/C=C1/CN2[C@@H]([C@@H]3C(=O)N4C5=CC=CC=C5[C@@]56CCN7CC8=CCO[C@@H]3[C@H]([C@H]45)[C@H]8C[C@H]76)C[C@]34C5=CC=CC=C5N5C(=O)C=C[C@@H]([C@H]53)[C@H]1C[C@H]24
InChI: InChI=1S/C42H42N4O3/c1-2-22-21-44-31(19-42-28-8-4-5-9-29(28)45-34(47)12-11-24(38(42)45)25(22)17-33(42)44)36-37-35-26-18-32-41(14-15-43(32)20-23(26)13-16-49-37)27-7-3-6-10-30(27)46(39(35)41)40(36)48/h2-13,24-26,31-33,35-39H,14-21H2,1H3/b22-2-/t24-,25+,26+,31-,32+,33+,35-,36+,37-,38+,39+,41-,42-/m1/s1
InChIKey: LYRBFJCNZKRZPT-LFYVSOKJSA-N
Reference
Indolomonoterpenic alkaloids from Strychnos icaja roots
PubChem CID: 162915173
LOTUS: LTS0004693
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Strychnos icaja | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 650.8230000000002
TPSA？: 56.33000000000001
MolLogP？: 4.580500000000004
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 13
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|