Yohimbine; 17-Epimer, 3(N)-dehydro 

AlkaPlorer ID: AK318063

Synonym: 3,4-Dehydro-β-yohimbine

IUPAC Name: None

Structure

SMILES: COC(=O)C1C(O)CCC2CN3CCC4=C5C=CC=CC5=NC4=C3CC21

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InChI: InChI=1S/C21H24N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,18-19,24H,6-11H2,1H3

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InChIKey: ABXHGHKISIEEEJ-UHFFFAOYSA-N

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Source

Properties Information

Molecule Weight: 352.4340000000001

TPSA: 62.13

MolLogP: 0.9677999999999992

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information