(-)-Hinesol
PubChem CID: 10878761
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| Compound Synonyms | Hinesol, 23811-08-7, (-)-Hinesol, CHEBI:80833, 2-[(3R,5S,6S)-6,10-Dimethylspiro[4.5]dec-9-en-3-yl]propan-2-ol, (2R,5S,10S)-alpha,alpha,6,10-Tetramethylspiro[4.5]dec-6-ene-2-methanol, CHEMBL505813, HY-N1930, AKOS040744479, FT161134, CS-0018242, C16970, Q27149875, 2-((2R,5S,10S)-6,10-dimethylspiro[4.5]dec-6-en-2-yl)propan-2-ol, Spiro(4.5)dec-6-ene-2-methanol, alpha,alpha,6,10-tetramethyl-, (2R-(2alpha,5alpha(S*)))- |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2(CC1)CCCC2 |
| Np Classifier Class | Spirovetivane sesquiterpenoids |
| Deep Smiles | C[C@H]CCC=C[C@]6CC[C@H]C5)CO)C)C))))))C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CCC2(CC1)CCCC2 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 303.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Uniprot Id | P25409 |
| Iupac Name | 2-[(3R,5S,6S)-6,10-dimethylspiro[4.5]dec-9-en-3-yl]propan-2-ol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H26O |
| Scaffold Graph Node Bond Level | C1=CC2(CCC1)CCCC2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ICWHTQRTTHCUHW-GZBFAFLISA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.8666666666666667 |
| Logs | -2.658 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.573 |
| Synonyms | hinesol |
| Esol Class | Soluble |
| Functional Groups | CC=C(C)C, CO |
| Compound Name | (-)-Hinesol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 222.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 222.37 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -3.4522063999999997 |
| Inchi | InChI=1S/C15H26O/c1-11-6-5-7-12(2)15(11)9-8-13(10-15)14(3,4)16/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13+,15+/m0/s1 |
| Smiles | C[C@H]1CCC=C([C@]12CC[C@H](C2)C(C)(C)O)C |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
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