3-Demethyldemecolcine
AlkaPlorer ID: AK000989
Synonym: ''
IUPAC Name: (7S)-3-hydroxy-1,2,10-trimethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
Structure
SMILES: CN[C@H]1CCC2=CC(O)=C(OC)C(OC)=C2C2=CC=C(OC)C(=O)C=C21
InChI: InChI=1S/C20H23NO5/c1-21-14-7-5-11-9-16(23)19(25-3)20(26-4)18(11)12-6-8-17(24-2)15(22)10-13(12)14/h6,8-10,14,21,23H,5,7H2,1-4H3/t14-/m0/s1
InChIKey: XUCTUYPXJOLWKI-AWEZNQCLSA-N
Reference
Alkaloids from Leaves and Flowers of Colchicum autumnale L.<sup>1</sup>
PubChem CID: 14413737
LOTUS: LTS0098208
SuperNatural Ⅲ: SN0440179-02
NPASS: NPC53146
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 357.4060000000001
TPSA？: 77.02000000000001
MolLogP？: 2.6519000000000013
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 | 71.5 | ug.mL-1 | 10.1021/np0496587 |
| Aspergillus niger | Aspergillus niger | MIC | 500.0 | ug.mL-1 | 10.1021/np0496587 |
| Homo sapiens | MCF7 | EC50 | 790.0 | nM | 10.1021/np0496587 |
| Homo sapiens | NCI-H460 | EC50 | 1100.0 | nM | 10.1021/np0496587 |
| Homo sapiens | SF-268 | EC50 | 3200.0 | 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 |