18β-hydroxy-3-epi-α-yohimbine

AlkaPlorer ID: AK011474

Synonym: None

IUPAC Name: None

Structure

SMILES: O[C@@H]1C[C@@]2(CN3CCC4C5=CC=CC=C5NC4[C@]3(C[C@@]2([C@@H]([C@H]1O)C(OC)=O)[H])[H])[H]

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InChI: InChI=1S/C21H28N2O4/c1-27-21(26)18-14-9-16-19-13(12-4-2-3-5-15(12)22-19)6-7-23(16)10-11(14)8-17(24)20(18)25/h2-5,11,13-14,16-20,22,24-25H,6-10H2,1H3/t11-,13?,14+,16-,17-,18+,19?,20+/m1/s1

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InChIKey: BKQYXCJTSRFCOT-NXRJTWGHSA-N

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Properties Information

Molecule Weight: 372.46500000000015

TPSA: 82.03

MolLogP: 1.1893999999999998

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information