(+)-Curcuphenol
PubChem CID: 156118
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| Compound Synonyms | (+)-Curcuphenol, (S)-(+)-Curcuphenol, (S)-Curcuphenol, 70878-71-6, Phenol, 2-((1S)-1,5-dimethyl-4-hexenyl)-5-methyl-, 5-methyl-2-[(2S)-6-methylhept-5-en-2-yl]phenol, 5-methyl-2-((2S)-6-methylhept-5-en-2-yl)phenol, (1S)-(+)-Curcuphenol, CHEMBL451860, SCHEMBL16749882, DTXSID901035469, NSC750820, NSC-750820, 2-[(1S)-1,5-Dimethyl-4-hexenyl]-5-methylphenol, 2-[(1S)-1,5-dimethylhex-4-enyl]-5-methyl-phenol, 2-[(1S)-1,5-Dimethylhex-4-enyl]-5-methylphenol, Phenol, 2-[(1S)-1,5-dimethyl-4-hexen-1-yl]-5-methyl- |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 228.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | n.a., P12931 |
| Iupac Name | 5-methyl-2-[(2S)-6-methylhept-5-en-2-yl]phenol |
| Prediction Hob | 1.0 |
| Target Id | NPT36 |
| Xlogp | 5.3 |
| Molecular Formula | C15H22O |
| Prediction Swissadme | 0.0 |
| Inchi Key | BTXSROVNGICYFE-ZDUSSCGKSA-N |
| Fcsp3 | 0.4666666666666667 |
| Logs | -4.555 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.327 |
| Compound Name | (+)-Curcuphenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 218.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 218.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 218.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.527307999999999 |
| Inchi | InChI=1S/C15H22O/c1-11(2)6-5-7-13(4)14-9-8-12(3)10-15(14)16/h6,8-10,13,16H,5,7H2,1-4H3/t13-/m0/s1 |
| Smiles | CC1=CC(=C(C=C1)[C@@H](C)CCC=C(C)C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all