12-Hydroxycurcumenol
PubChem CID: 71578718
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| Compound Synonyms | 12-Hydroxycurcumenol, (1S,2S,5S,8R,9E)-9-(1-hydroxypropan-2-ylidene)-2,6-dimethyl-11-oxatricyclo(6.2.1.01,5)undec-6-en-8-ol, (1S,2S,5S,8R,9E)-9-(1-hydroxypropan-2-ylidene)-2,6-dimethyl-11-oxatricyclo[6.2.1.01,5]undec-6-en-8-ol, CHEMBL2332422, 1422201-44-2 |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 451.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1S,2S,5S,8R,9E)-9-(1-hydroxypropan-2-ylidene)-2,6-dimethyl-11-oxatricyclo[6.2.1.01,5]undec-6-en-8-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Molecular Formula | C15H22O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DEZWKBHSCPUCDO-NZLQWCMJSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -1.511 |
| Rotatable Bond Count | 1.0 |
| Logd | -0.841 |
| Compound Name | 12-Hydroxycurcumenol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 250.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 250.157 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 250.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.9497955999999996 |
| Inchi | InChI=1S/C15H22O3/c1-9-6-15(17)13(10(2)8-16)7-14(18-15)11(3)4-5-12(9)14/h6,11-12,16-17H,4-5,7-8H2,1-3H3/b13-10+/t11-,12-,14-,15+/m0/s1 |
| Smiles | C[C@H]1CC[C@@H]2[C@]13C/C(=C(/C)\CO)/[C@](O3)(C=C2C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Heyneana (Plant) Rel Props:Source_db:cmaup_ingredients