Climacostol
PubChem CID: 10704873
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| Compound Synonyms | Climacostol, 253158-28-0, 5-[(Z)-non-2-enyl]benzene-1,3-diol, 5-((Z)-non-2-en-1-yl)resorcinol, (Z)-5-(non-2-en-1-yl)benzene-1,3-diol, 5-(2Z)-2-Nonenyl-1,3-benzenediol, DTXSID90443780, CHEBI:232341, LMPK15030016, 5-(z)-non-2-enyl-benzene-1,3-diol |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 203.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[(Z)-non-2-enyl]benzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 5.1 |
| Molecular Formula | C15H22O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VKWFGJNPZKSIEL-FPLPWBNLSA-N |
| Fcsp3 | 0.4666666666666667 |
| Logs | -2.537 |
| Rotatable Bond Count | 7.0 |
| Logd | -0.038 |
| Compound Name | Climacostol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 234.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 234.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 234.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.311378270588235 |
| Inchi | InChI=1S/C15H22O2/c1-2-3-4-5-6-7-8-9-13-10-14(16)12-15(17)11-13/h7-8,10-12,16-17H,2-6,9H2,1H3/b8-7- |
| Smiles | CCCCCC/C=C\CC1=CC(=CC(=C1)O)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Schinus Terebinthifolia (Plant) Rel Props:Source_db:cmaup_ingredients