Yohimbic Acid
PubChem CID: 72131
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Yohimbic Acid, 522-87-2, Yohimbinic acid, Yohimbinsaeure, Acido yohimbico, Acide yohimbique, Yohimbic acid [INN], Acidum yohimbicum, 17alpha-Hydroxyyohimban-16alpha-carboxylic acid, Yohimbinic acid monohydrate, UNII-35FAV1EVEG, 35FAV1EVEG, NSC-95096, Acide yohimbique [INN-French], Acido yohimbico [INN-Spanish], Acidum yohimbicum [INN-Latin], CHEBI:35633, EINECS 208-337-7, NSC 95096, CHEMBL148824, YOHIMBIC ACID [WHO-DD], DTXSID4048563, NSC95096, 17alpha-Hydroxy-3alpha,15alpha,20beta-yohimban-16alpha-carbonsaeure, 17.alpha.-Hydroxyyohimban-16.alpha.-carboxylic acid, Acide yohimbique (INN-French), Acido yohimbico (INN-Spanish), Acidum yohimbicum (INN-Latin), Yohimban-16-carboxylic acid, 17-hydroxy-, (16alpha,17alpha)-, MLS002153893, (1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid, SMR001233242, Yohimbineacid, MFCD00167087, Spectrum_001515, SpecPlus_000211, Prestwick0_000590, Prestwick1_000590, Prestwick2_000590, Prestwick3_000590, Spectrum2_000451, Spectrum3_001117, Spectrum4_001955, Spectrum5_000725, BSPBio_000440, BSPBio_002854, KBioGR_002393, KBioSS_001995, DivK1c_006307, SCHEMBL571103, SPBio_000522, SPBio_002659, BPBio1_000484, DTXCID7028192, Yohimban-16-carboxylic acid, 17-hydroxy-, (16.alpha.,17.alpha.)-, BDBM95054, cid_6419962, KBio1_001251, KBio2_001995, KBio2_004563, KBio2_007131, KBio3_002074, AADVZSXPNRLYLV-GKMXPDSGSA-N, CCG-38693, MFCD00005094, AKOS015955772, NCGC00178432-04, (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-carboxylic acid, NS-05570, HY-121936, CS-0083713, NS00032471, EN300-302966, G12048, BRD-K37282009-001-02-3, BRD-K37282009-002-03-9, Q27116536, Yohimban-16-carboxylic acid, (16.alpha.,17.alpha.)-, (16alpha,17alpha)-17-hydroxyyohimban-16-carboxylic acid, Yohimban-16-carboxylic acid, 17-hydroxy-, (16alpha,17alpha)-(9CI), (1R,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydroindolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylic acid, (1R,2S,4AR,13BS,14AS)-2-HYDROXY-1,2,3,4,4A,5,7,8,13,13B,14,14A-DODECAHYDROISOQUINO[3,2-A]BETA-CARBOLINE-1-CARBOXYLIC ACID, (1S,15R,18S,19R,20S)-18-Hydroxy-3,11,12,13,14,15,16,17,18,19,20,21-dodecahydro-1H-yohimban-13-ium-19-carboxylate, (1S,15R,18S,19R,20S)-18-hydroxy-3,13-diazapentacyclo[11.8.0.0(2),(1)?.0?,?.0(1)?,(2)?]henicosa-2(10),4(9),5,7-tetraene-19-carboxylic acid, (1S,15R,18S,19R,20S)-18-oxidanyl-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid, hydrate, 208-337-7 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 76.6 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCC2CC3C(CCC4C5CCCCC5CC34)CC2C1 |
| Np Classifier Class | Yohimbine-like alkaloids |
| Deep Smiles | OC=O)[C@H][C@@H]O)CC[C@@H][C@@H]6C[C@@H]NC6)CCcc6[nH]cc5cccc6 |
| Heavy Atom Count | 25.0 |
| Classyfire Class | Corynanthean-type alkaloids |
| Scaffold Graph Node Level | C1CCC2CN3CCC4C5CCCCC5NC4C3CC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 541.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Xlogp | 0.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C20H24N2O3 |
| Scaffold Graph Node Bond Level | c1ccc2c3c([nH]c2c1)C1CC2CCCCC2CN1CC3 |
| Inchi Key | AADVZSXPNRLYLV-GKMXPDSGSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | yohimbinic acid |
| Esol Class | Soluble |
| Functional Groups | CC(=O)O, CN(C)C, CO, c[nH]c |
| Compound Name | Yohimbic Acid |
| Exact Mass | 340.179 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 340.179 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 340.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C20H24N2O3/c23-17-6-5-11-10-22-8-7-13-12-3-1-2-4-15(12)21-19(13)16(22)9-14(11)18(17)20(24)25/h1-4,11,14,16-18,21,23H,5-10H2,(H,24,25)/t11-,14-,16-,17-,18+/m0/s1 |
| Smiles | C1C[C@@H]([C@@H]([C@@H]2[C@@H]1CN3CCC4=C([C@@H]3C2)NC5=CC=CC=C45)C(=O)O)O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Rauvolfia Serpentina (Plant) Rel Props:Reference:https://doi.org/10.1186/s12906-015-0683-7