yohimbine
AlkaPlorer ID: AK001216
Synonym: '', '17alpha-hydroxyyohimban-16alpha-carboxylic acid methyl ester', 'Yohimbine', 'quebrachine', 'beta-Yohimbine', 'SMR000440723', 'Quebrachin', '17-Epialloyohimbine', 'Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, monohydrochloride, (16.alpha.,17.alpha.)-', '3-epi-alpha-yohimbine', 'yohimbic acid methyl ester', 'Rauhimbin\nRauhimbine\nCorynanthin\nCOYNANTHINE\nCorynanthine\nYohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16.beta.,17.alpha.)-\nYohimban-16.beta.-carboxylic acid, 17.alpha.-hydroxy-, methyl ester', 'MLSMR', '(+)-yohimbine', 'Yohimbine monohydrochloride', 'aphrodine', 'YOHIMBINE', '17-epi-Alloyohimbine', 'MLS000863574', '(3beta)-17alpha-hydroxyyohimban-16alpha-carboxylic acid methyl ester', 'Yohimbine, hydrochloride', 'corynine', 'Yohimban-16.alpha.-carboxylic acid, 17.alpha.-hydroxy-, methyl ester, monohydrochloride', 'Yohimbine hydrochloride', '.psi.-Yohimbine\nPSEUDOYOHIMBINE\nPseudoyohimbine\nYohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (3.beta.,16.alpha.,17.alpha.)-\n3.beta.-Yohimban-16.alpha.-carboxylic acid, 17.alpha.-hydroxy-, methyl ester', '(16alpha,17alpha)-17-hydroxyyohimban-16-carboxylic acid methyl ester', 'pseudoyohimbine', '(3R)-17alpha-hydroxyyohimban-16alpha-carboxylic acid methyl ester', 'Johimbin', 'Yohimbin'
IUPAC Name: methyl (1S,15S,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Structure
SMILES: COC(=O)[C@@H]1[C@H]2C[C@H]3C4=C(CCN3C[C@H]2CC[C@@H]1O)C1=CC=CC=C1N4
InChI: InChI=1S/C21H26N2O3/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/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15+,17+,18+,19-/m1/s1
InChIKey: BLGXFZZNTVWLAY-FJDMERLMSA-N
Reference
Cytotoxic monoterpenoid indole alkaloids from Alstonia yunnanensis Diels
PubChem CID: 120716
CAS: 522-94-1
LOTUS: LTS0029213
NPASS: NPC249150
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia mairei | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 354.45
TPSA？: 65.56
MolLogP？: 2.6471
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 5