Trigohowilol B
PubChem CID: 71455118
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| Compound Synonyms | Trigohowilol B, CHEMBL2164995 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 451.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,6-dihydroxy-1,1,7-trimethylphenanthren-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C17H16O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RCRMDJPRYXRQQD-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -4.368 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.949 |
| Compound Name | Trigohowilol B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 268.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 268.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.3368344 |
| Inchi | InChI=1S/C17H16O3/c1-9-6-10-4-5-13-12(11(10)7-14(9)18)8-15(19)16(20)17(13,2)3/h4-8,18-19H,1-3H3 |
| Smiles | CC1=CC2=C(C=C1O)C3=C(C=C2)C(C(=O)C(=C3)O)(C)C |
| 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