Trigohowilol A
PubChem CID: 71456927
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| Compound Synonyms | Trigohowilol A, CHEMBL2164994 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 453.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-hydroxy-6-methoxy-1,1,7-trimethylphenanthren-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C18H18O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LHHLMRGWOMWQSU-UHFFFAOYSA-N |
| Fcsp3 | 0.2777777777777778 |
| Logs | -5.003 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.551 |
| Compound Name | Trigohowilol A |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 282.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 282.126 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 282.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.415782752380952 |
| Inchi | InChI=1S/C18H18O3/c1-10-7-13-12(8-16(10)21-4)11-5-6-17(20)18(2,3)14(11)9-15(13)19/h5-9,19H,1-4H3 |
| Smiles | CC1=CC2=C(C=C3C(=C2C=C1OC)C=CC(=O)C3(C)C)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Trigonostemon Howii (Plant) Rel Props:Source_db:cmaup_ingredients