| Phytochemical Name : Yohimbine |
| PCNDIDY0010 |
| Pubchem CID : 8969 |
| Molecular formula: C21H26N2O3 |
| Canonical SMILES : COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O |
Synonymes : Yohimbine|Yohimbin|146-48-5|Quebrachin|Quebrachine|Corynine|APHRODINE|Yohimbic acid methyl ester|Aphrosol|(+)-Yohimbine|Yohimex|Yocon|Actibine|Johimbin|Aphrodyne|Yohimbinum|Yohimbine (DCF)|Thybine|17-Hydroxyyohimban-16-carboxylic acid methyl ester|Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16alpha,17alpha)-|EINECS 205-672-0|BRN 0097276|trans-Quinolizidine yohimbine|UNII-2Y49VWD90Q|CHEMBL15245|2Y49VWD90Q|CCRIS 9415|17alpha-hydroxyyohimban-16alpha-carboxylic acid methyl ester|DTXSID9040130|CHEBI:10093|(16alpha,17alpha)-17-hydroxyyohimban-16-carboxylic acid methyl ester|methyl 17alpha-hydroxyyohimban-16alpha-carboxylate|Yohimban-16-alpha-carboxylic acid, 17-alpha-hydroxy-, methyl ester|yohimbinhydrochlorid-|4-25-00-01237 (Beilstein Handbook Reference)|methyl (1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate|methyl (1S,15R,18S,19R,20S)-18-hydroxy-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8-tetraene-19-carboxylate|YOHIMBINE CHLORIDE|Yohimbol-16alpha-carboxylic acid, methyl ester (6CI)|DTXCID7020130|Yohimar|Yovital|Yoman|Dayto himbin|Benz[g]indolo[2,3-a]quinolizine, yohimban-16-carboxylic acid deriv.|Yohimban-16-.alpha.-carboxylic acid, 17-.alpha.-hydroxy-, methyl ester|Yohimban-16alpha-carboxylic acid, 17alpha-hydroxy-, methyl ester (8CI)|CHEMBL537669|Baron-X|CAS-146-48-5|Amberlite CG 400|methyl hydroxy[?]carboxylate|Yohimbe bark|YOHIMBE HYDROCHLORIDE|SR-01000075297|C21H26N2O3.ClH|YohimbeHydrochloride|(+)-Yohimbin|NSC19509|YOHIMBINE [MI]|Prestwick0_000584|Prestwick1_000584|Prestwick2_000584|Prestwick3_000584|Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, monohydrochloride, (16.alpha.,17.alpha.)-|YOHIMBINE [VANDF]|YOHIMBINUM [HPUS]|D0H4JM|cid_6169|cid_8969|YOHIMBINE [WHO-DD]|Lopac0_001210|SCHEMBL33954|BSPBio_000428|BSPBio_001236|GTPL102|KBioGR_000576|KBioSS_000576|MLS000728591|SPBio_002647|BPBio1_000472|BCBcMAP01_000032|KBio2_000576|KBio2_003144|KBio2_005712|KBio3_001031|KBio3_001032|Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16.alpha.,17.alpha.)-|Bio1_000455|Bio1_000944|Bio1_001433|Bio2_000458|Bio2_000938|HMS1362N17|HMS1792N17|HMS1990N17|HMS2089G19|HMS2234C18|Tox21_110019|BDBM50013515|BDBM50203564|MFCD00005093|AKOS015902024|Tox21_110019_1|CCG-205284|CS-5173|DB01392|GS-5751|SDCCGSBI-0051177.P002|IDI1_002213|MRF-0000020|SMP1_000320|NCGC00013260-01|NCGC00025018-05|NCGC00025018-06|NCGC00025018-07|NCGC00025018-10|NCGC00025018-11|NCGC00025018-17|HY-12715|SMR000470778|17a-hydroxy-16a-methoxycarbonyl-yohimbane|LS-162738|C09256|D08685|H10057|EN300-19731915|Q412226|SR-01000075297-5|17-Hydroxy-yohimbane-16-carboxylic acid methyl ester|BRD-K35586044-001-02-6|BRD-K35586044-003-03-0|BRD-K35586044-003-11-3|Yohimban-16?-carboxylic acid, 17?-hydroxy-, methyl ester|methyl (16alpha,17alpha)-17-hydroxyyohimban-16-carboxylate|(16-alpha,17-alpha)-17-Hydroxyyohimban-16-carboxylic acid methyl ester|(16alpha,17alpha)-17-Hydroxy-yohimban-16-carboxylic acid methyl ester|17.ALPHA.-HYDROXY-20-.ALPHA.-YOHIMBAN-16-.BETA.-CARBOXYLIC ACID, METHYL ESTER|Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16alpha,17alpha)- (9CI)|Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16alpha,17alpha)-(9CI)|(1R,2S,4aR,13bS,14aS)-2-hydroxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-indolo[2'',3'':3,4]pyrido[1,2-b]isoquinoline-1-carboxylic acid methyl ester hydrochloride|103834-06-6|2-Hydroxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-indolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylic acid methyl ester|methyl (1S,15R,18S,19R,20S)-18-hydroxy-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4(9),5,7-tetraene-19-carboxylate |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.790 |
| Log Po/w (XLOGP3) : 2.940 |
| Log Po/w (WLOGP) : 1.940 |
| Log Po/w (MLOGP) : 2.210 |
| Log Po/w (SILICOS-IT) : 2.430 |
| Consensus Log Po/w : 2.460 |

