trans-Sobrerol
PubChem CID: 854498
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| Compound Synonyms | trans-Sobrerol, 42370-41-2, Sobrerol, (-)-trans-, UNII-7WJQ6A6U4W, 7WJQ6A6U4W, 71697-84-2, Sobrepin, AI0NX02O35, (1S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol, DTXSID501317156, Lysmucol, dl-Sobrerol, d,l-trans-Sobrerol, EINECS 255-780-7, Sobrerol, dl-trans-form, SOBREROL [MI], SOBREROL [WHO-DD], 6,8-carvomenthenediol, trans, Trans-p-menth-6-ene-2,8-diol, UNII-AI0NX02O35, dl-trans-p-Menth-6-ene-2,8-diol, TRANS-6-HYDROXY-.ALPHA.-TERPINEOL, (+/-)-trans-Sobrerol, SOBREROL [MART.], (-)-TRANS-SOBREROL, SCHEMBL19834, ()-1-Hydroxyisodihydrocarveol, CHEMBL2374961, SOBREROL, TRANS-(-)-, trans-p-Menth-6-en-2,8-diol, p-Menth-6-en-2,8-diol, trans, DTXCID101837770, SOBREROL L-TRANS-FORM [MI], SOBREROL, (+/-)-TRANS-, trans-5-Hydroxy-alpha,alpha,4-trimethylcyclohex-3-ene-1-methanol, SOBREROL DL-TRANS-FORM [MI], AKOS025295316, DB13315, SOBREROL, TRANS-, (+/-)-, FM178672, NS00088859, BRD-K58262380-001-01-0, Z1278926502, 5-(1-Hydroxy-1-methylethyl)-2-methyl-2-cyclohexen-1-ol #, trans-5-(1-hydroxyl-1-methylethyl)-2-methyl-2-cyclohexen-1-ol, (+/-)-TRANS-5-HYDROXY-.ALPHA.,.ALPHA.,4-TRIMETHYL-3-CYCLOHEXENE-1-METHANOL, (1R,5S)-5-HYDROXY-.ALPHA.,.ALPHA.,4-TRIMETHYL-3-CYCLOHEXENE-1-METHANOL, 3-CYCLOHEXENE-1-METHANOL, 5-HYDROXY-.ALPHA.,.ALPHA.,4-TRIMETHYL-, (1R,5S)-, 3-CYCLOHEXENE-1-METHANOL, 5-HYDROXY-.ALPHA.,.ALPHA.,4-TRIMETHYL-, (1R,5S)-REL-, 3-CYCLOHEXENE-1-METHANOL, 5-HYDROXY-.ALPHA.,.ALPHA.,4-TRIMETHYL-, (1R-TRANS)-, 3-Cyclohexene-1-methanol, 5-hydroxy-.alpha.,.alpha.,4-trimethyl-, (1S-trans)-, 3-CYCLOHEXENE-1-METHANOL, 5-HYDROXY-.ALPHA.,.ALPHA.,4-TRIMETHYL-, TRANS-, TRANS-5-HYDROXY-.ALPHA.,.ALPHA.,4-TRIMETHYL-3-CYCLOHEXENE-1-METHANOL, 1,2-Cyclohexanediol, 1-methyl-4-(1-methylethenyl)-, (1,2,4)- (9CI), 1,2-Cyclohexanediol, 1-methyl-4-(1-methylethenyl)-, (1,2,4)-()- |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Menthane monoterpenoids |
| Deep Smiles | CC=CC[C@H]C[C@@H]6O)))CO)C)C |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 194.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 0.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18O2 |
| Scaffold Graph Node Bond Level | C1=CCCCC1 |
| Inchi Key | OMDMTHRBGUBUCO-BDAKNGLRSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | trans-sobrerol |
| Esol Class | Very soluble |
| Functional Groups | CC=C(C)C, CO |
| Compound Name | trans-Sobrerol |
| Exact Mass | 170.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 170.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 170.25 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H18O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4,8-9,11-12H,5-6H2,1-3H3/t8-,9+/m1/s1 |
| Smiles | CC1=CC[C@H](C[C@@H]1O)C(C)(C)O |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Eleutherococcus Trifoliatus (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199901/02)14:1<41::aid-ffj781>3.0.co;2-b