Euphol
PubChem CID: 441678
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| Compound Synonyms | Euphol, Euphadienol, 514-47-6, (+)-Euphol, CHEBI:4940, C30H50O, Eupha-8,24-dienol, (20R)-(+)-triucalla-8,24-diene-3beta-ol, 5alpha-Eupha-8,24-dien-3beta-ol, Euphol (6CI), (3S,5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol, alpha-Euphol, (s)-euphol, (+)-alpha-Euphol, SCHEMBL541497, CHEMBL465181, DTXSID201318412, HY-N0313, BDBM50569390, MFCD01716323, AKOS016010616, FE73997, LMPR0106090002, AC-34151, DA-73255, CS-0008811, C08624, E87096, Q27106574, (3beta,13alpha,14beta,17alpha)-Lanosta-8,24-dien-3-ol, 13alpha,14beta,17betaH-Lanosta-8,24-dien-3beta-ol (8CI), Lanosta-8,24-dien-3-ol, (3.beta.,13.alpha.,14.beta.,17.alpha.)-, (3S,5R,10S,13S,14S)-17-((R)-1,5-Dimethyl-hex-4-enyl)-4,4,10,13,14-pentamethyl-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol, (3S,5R,10S,13S,14S,17S)-17-[(1R)-1,5-dimethylhex-4-enyl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CCC1C3CCCC3CCC21 |
| Np Classifier Class | Lanostane, Tirucallane and Euphane triterpenoids |
| Deep Smiles | CC=CCC[C@H][C@@H]CC[C@][C@@]5C)CCC=C6CC[C@@H][C@]6C)CC[C@@H]C6C)C))O)))))))))))))C)))))C)))))C |
| Heavy Atom Count | 31.0 |
| Classyfire Class | Prenol lipids |
| Description | Constituent of Euphorbia subspecies (CCD). Euphol is found in many foods, some of which are cucumber, soy bean, shea tree, and tea. |
| Scaffold Graph Node Level | C1CCC2C(C1)CCC1C3CCCC3CCC21 |
| Classyfire Subclass | Triterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 767.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Uniprot Id | Q7BGE6 |
| Iupac Name | (3S,5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 8.9 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Triterpenoids |
| Gsk 4 400 Rule | False |
| Molecular Formula | C30H50O |
| Scaffold Graph Node Bond Level | C1CCC2C3=C(CCC2C1)C1CCCC1CC3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CAHGCLMLTWQZNJ-WZLOIPHISA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 0.8666666666666667 |
| Logs | -6.131 |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Logd | 5.694 |
| Synonyms | (+)-alpha-Euphol, (3beta,13alpha,14beta,17alpha)-Lanosta-8,24-dien-3-ol, 13alpha,14beta,17betaH-Lanosta-8,24-dien-3beta-ol (8CI), 5alpha-Eupha-8,24-dien-3beta-ol, alpha-Euphol, Eupha-8,24-dienol, Euphadienol, Euphol, Euphol (6CI), Lanosta-8,24-dien-3-ol, (3beta,13alpha,14beta,17alpha)-, 8,24-Euphadien-3 beta-ol, 13alpha,14beta,17BetaH-lanosta-8,24-dien-3beta-ol (8ci), Euphol (6ci), euphadienol, euphol |
| Substituent Name | Tirucallane-euphane triterpenoid, 3-beta-hydroxysteroid, Hydroxysteroid, 3-hydroxysteroid, Steroid, Cyclic alcohol, Secondary alcohol, Hydrocarbon derivative, Organooxygen compound, Alcohol, Aliphatic homopolycyclic compound |
| Esol Class | Poorly soluble |
| Functional Groups | CC(C)=C(C)C, CC=C(C)C, CO |
| Compound Name | Euphol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 426.386 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 426.386 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 426.7 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -7.8350198 |
| Inchi | InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22+,25+,26+,28-,29+,30-/m1/s1 |
| Smiles | C[C@H](CCC=C(C)C)[C@@H]1CC[C@]2([C@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C |
| Nring | 4.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Triterpenoids |
| Np Classifier Superclass | Triterpenoids |
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