Molecule

N-Deacetylcolchicine; (S)-form, N-Me

AlkaPlorer ID: AK294474

Synonym: Demecolcine, N-Methyldeacetylcolchicine, Colchamine, Colcemid, Kolkamin, Omain, Santavy's Substance F, Ciba 12669A, NSC 3096, Alkaloid F

IUPAC Name: 1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one

SMILES: CNC1CCC2=CC(OC)=C(OC)C(OC)=C2C2=CC=C(OC)C(=O)C=C21

InChI: InChI=1S/C21H25NO5/c1-22-15-8-6-12-10-18(25-3)20(26-4)21(27-5)19(12)13-7-9-17(24-2)16(23)11-14(13)15/h7,9-11,15,22H,6,8H2,1-5H3

InChIKey: NNJPGOLRFBJNIW-UHFFFAOYSA-N

PubChem CID: 2832

CAS: 477-30-5

LOTUS: LTS0216871

COCONUT: CNP0219594.2

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Merendera	Colchicaceae	Liliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Colchicum	Colchicaceae	Liliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Colchicum speciosum	Colchicum	Colchicaceae	Liliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Androcymbium melanthioides	Androcymbium	Colchicaceae	Liliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Colchicum	Colchicaceae	Liliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 371.4330000000001

TPSA？: 66.02000000000001

MolLogP？: 2.954900000000001

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 3

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
None	NON-PROTEIN TARGET	Activity	70.1	%	10.1021/np990226j

AKRT ID	Reaction	Reaction Link ID
AKRT011623	COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](N(C)C=O)CC2>>CNC1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21	R08451