N-[(10S)-4,14-dihydroxy-3,5-dimethoxy-13-oxotricyclo[9.5.0.0²,⁷]hexadeca-1(16),2(7),3,5,11,14-hexaen-10-yl]acetamide
AlkaPlorer ID: AK004427
Synonym: None
IUPAC Name: N-[(7S)-2,10-dihydroxy-1,3-dimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Structure
SMILES: COC1=CC2=C(C3=CC=C(O)C(=O)C=C3[C@@H](N=C(C)O)CC2)C(OC)=C1O
InChI: InChI=1S/C20H21NO6/c1-10(22)21-14-6-4-11-8-17(26-2)19(25)20(27-3)18(11)12-5-7-15(23)16(24)9-13(12)14/h5,7-9,14,25H,4,6H2,1-3H3,(H,21,22)(H,23,24)/t14-/m0/s1
InChIKey: VHIVSZXYLQFNPC-AWEZNQCLSA-N
Reference
Alkaloids ofColchicum szovitsii. Structure of szovitsamine
PubChem CID: 453130
CAS: 33530-04-0
LOTUS: LTS0063881
SuperNatural Ⅲ: SN0390373-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Colchicum robustum | Colchicum | Colchicaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 371.3890000000002
TPSA？: 108.58
MolLogP？: 3.105900000000001
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | H9 | EC50 | 270.0 | nM | 10.1021/np50074a052 |
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | IC50 | 270.0 | nM | 10.1021/np50074a052 |