Cephalotaxinone

AlkaPlorer ID: AK133179

Synonym: ''

IUPAC Name: (2S,6S)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-one

Structure

SMILES: COC1=C[C@]23CCCN2CCC2=CC4=C(C=C2[C@@H]3C1=O)OCO4

copy

InChI: InChI=1S/C18H19NO4/c1-21-15-9-18-4-2-5-19(18)6-3-11-7-13-14(23-10-22-13)8-12(11)16(18)17(15)20/h7-9,16H,2-6,10H2,1H3/t16-,18+/m1/s1

copy

InChIKey: VMMVTEUUDORRJX-AEFFLSMTSA-N

copy

Properties Information

Molecule Weight: 313.35300000000007

TPSA: 48.0

MolLogP: 2.0026

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information