beta-Lumicolchicine

AlkaPlorer ID: AK018467

Synonym: '', 'gamma-Lumicolchicine'

IUPAC Name: N-[(10S,12S,16R)-3,4,5,14-tetramethoxy-13-oxo-10-tetracyclo[9.5.0.02,7.012,16]hexadeca-1(11),2,4,6,14-pentaenyl]acetamide

Structure

SMILES: COC1=C[C@H]2C3=C([C@H]2C1=O)[C@@H](N=C(C)O)CCC1=C3C(OC)=C(OC)C(OC)=C1

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InChI: InChI=1S/C22H25NO6/c1-10(24)23-13-7-6-11-8-15(27-3)21(28-4)22(29-5)16(11)17-12-9-14(26-2)20(25)18(12)19(13)17/h8-9,12-13,18H,6-7H2,1-5H3,(H,23,24)/t12-,13-,18-/m0/s1

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InChIKey: VKPVZFOUXUQJMW-LXIYXOSZSA-N

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Properties Information

Molecule Weight: 399.4430000000002

TPSA: 86.58000000000001

MolLogP: 3.116200000000002

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information