5,10(15)-Cadinen-4-ol
PubChem CID: 157009962
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| Compound Synonyms | 5,10(15)-Cadinen-4-ol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Description | 5,10(15)-cadinen-4-ol is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. 5,10(15)-cadinen-4-ol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 5,10(15)-cadinen-4-ol can be found in pepper (spice) and sweet basil, which makes 5,10(15)-cadinen-4-ol a potential biomarker for the consumption of these food products. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 326.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-5-methylidene-8-propan-2-yl-3,4,4a,6,7,8-hexahydronaphthalen-2-ol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Is Pains | False |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 1.0 |
| Inchi Key | MQUAYICQWWZUAY-UHFFFAOYSA-N |
| Fcsp3 | 0.7333333333333333 |
| Rotatable Bond Count | 1.0 |
| Compound Name | 5,10(15)-Cadinen-4-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 220.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9735072000000002 |
| Inchi | InChI=1S/C15H24O/c1-10(2)12-6-5-11(3)13-7-8-15(4,16)9-14(12)13/h9-10,12-13,16H,3,5-8H2,1-2,4H3 |
| Smiles | CC(C)C1CCC(=C)C2C1=CC(CC2)(C)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ocimum Basilicum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:fooddb_chem_all