O-Methylandrocymbine
AlkaPlorer ID: AK338912
Synonym: None
IUPAC Name: (1R,10S)-3,4,5,14-tetramethoxy-18-methyl-18-azatetracyclo[8.5.3.01,11.02,7]octadeca-2,4,6,11,14-pentaen-13-one
Structure
SMILES: COC1=C[C@@]23CCN(C)[C@@H](CCC4=CC(OC)=C(OC)C(OC)=C42)C3=CC1=O
InChI: InChI=1S/C22H27NO5/c1-23-9-8-22-12-18(26-3)16(24)11-14(22)15(23)7-6-13-10-17(25-2)20(27-4)21(28-5)19(13)22/h10-12,15H,6-9H2,1-5H3/t15-,22+/m0/s1
InChIKey: AYPIIWGCGUQVNZ-OYHNWAKOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Colchicum schimperi | Colchicum | Colchicaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 385.4600000000002
TPSA？: 57.23
MolLogP？: 2.639900000000001
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HT-29 | IC50 | None | None | 10.1016/j.bmcl.2012.04.007 |