Decussine; (R)-form, 3α,14-Dihydro 

AlkaPlorer ID: AK294674

Synonym: Mostueine, 3,14-Dihydrodecussine

IUPAC Name: 11,20-dimethyl-1,11,17-triazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2,4,6,8(21),14(19),15,17-heptaene

Structure

SMILES: CC1C2=CN=CC=C2CC2C3=C(CCN2C)C2=CC=CC=C2N31

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InChI: InChI=1S/C20H21N3/c1-13-17-12-21-9-7-14(17)11-19-20-16(8-10-22(19)2)15-5-3-4-6-18(15)23(13)20/h3-7,9,12-13,19H,8,10-11H2,1-2H3

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InChIKey: YFWSIGRPVGRELZ-UHFFFAOYSA-N

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Reference

PubChem CID: 13892218

CAS: 79082-57-8

COCONUT: CNP0272322.1

Properties Information

Molecule Weight: 303.409

TPSA: 21.06

MolLogP: 3.7307000000000032

Number of H-Donors: 0

Number of H-Acceptors: 3

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information