Androbiphenyline
AlkaPlorer ID: AK001308
Synonym: '(-)-Androbiphenyline'
IUPAC Name: N-[(8S)-6-hydroxy-5,13,14,15-tetramethoxy-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]acetamide
Structure
SMILES: COC1=CC=C2C3=C(OC)C(OC)=C(OC)C=C3CC[C@H](NC(C)=O)C2=C1O
InChI: InChI=1S/C21H25NO6/c1-11(23)22-14-8-6-12-10-16(26-3)20(27-4)21(28-5)17(12)13-7-9-15(25-2)19(24)18(13)14/h7,9-10,14,24H,6,8H2,1-5H3,(H,22,23)/t14-/m0/s1
InChIKey: DMFNBXZGZQLZMS-AWEZNQCLSA-N
Reference
New Natural Colchicinoids: Indications of Two Possible Catabolic Routes for the Colchicine Alkaloids
PubChem CID: 10927179
LOTUS: LTS0159362
NPASS: NPC329837
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Androcymbium palaestinum | Androcymbium | Colchicaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 387.4320000000001
TPSA？: 86.25000000000001
MolLogP？: 3.217000000000002
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Artemia | Artemia | LC50 | 48.8 | ug.mL-1 | 10.1021/np0496587 |
| Aspergillus niger | Aspergillus niger | MIC | 500.0 | ug.mL-1 | 10.1021/np0496587 |
| Homo sapiens | MCF7 | EC50 | 200.0 | nM | 10.1021/np0496587 |
| Homo sapiens | NCI-H460 | EC50 | 260.0 | nM | 10.1021/np0496587 |
| Homo sapiens | SF-268 | EC50 | 370.0 | nM | 10.1021/np0496587 |
| Micrococcus luteus | Micrococcus luteus | MIC | 500.0 | ug.mL-1 | 10.1021/np0496587 |
| Mycolicibacterium smegmatis | Mycolicibacterium smegmatis | MIC | 500.0 | ug.mL-1 | 10.1021/np0496587 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | MIC | 500.0 | ug.mL-1 | 10.1021/np0496587 |
| None | Unchecked | Activity | 50.0 | % | 10.1021/np0496587 |