N-Deacetylcolchicine; (S)-form, N-Formyl
AlkaPlorer ID: AK294473
Synonym: Gloriosine, N-Deacetyl-N-formylcolchicine, Substance B
IUPAC Name: N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)formamide
Structure
SMILES: COC1=C(OC)C(OC)=C2C(=C1)CCC(N=CO)C1=CC(=O)C(OC)=CC=C12
InChI: InChI=1S/C21H23NO6/c1-25-17-8-6-13-14(10-16(17)24)15(22-11-23)7-5-12-9-18(26-2)20(27-3)21(28-4)19(12)13/h6,8-11,15H,5,7H2,1-4H3,(H,22,23)
InChIKey: HDSXDWASQCHADG-UHFFFAOYSA-N
Reference
Alkaloids and phenolics of three Merendera species
PubChem CID: 5030992
CAS: 7411-12-3
LOTUS: LTS0034085
COCONUT: CNP0115462.3
Source
Properties Information
Molecule Weight: 385.4160000000001
TPSA？: 86.58
MolLogP？: 3.3218000000000014
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 3
Activities Information
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