(+)-Cavidine

AlkaPlorer ID: AK052803

Synonym: 'Cavidine'

IUPAC Name: (12R,13R)-16,17-dimethoxy-12-methyl-5,7-dioxa-1-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaene

Structure

SMILES: COC1=CC2=C(C=C1OC)[C@H]1[C@H](C)C3=C(CN1CC2)C1=C(C=C3)OCO1

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InChI: InChI=1S/C21H23NO4/c1-12-14-4-5-17-21(26-11-25-17)16(14)10-22-7-6-13-8-18(23-2)19(24-3)9-15(13)20(12)22/h4-5,8-9,12,20H,6-7,10-11H2,1-3H3/t12-,20-/m1/s1

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InChIKey: JTZZGWPIBBTYNE-MPBGBICISA-N

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Source

Properties Information

Molecule Weight: 353.4180000000001

TPSA: 40.16

MolLogP: 3.649000000000002

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