Navenone C
PubChem CID: 15380316
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| Compound Synonyms | Navenone C, 62695-69-6, (3E,5E,7E,9E)-10-(4-hydroxyphenyl)deca-3,5,7,9-tetraen-2-one, CHEBI:80865, DTXSID10572203, C17021, Q27151366, (3E,5E,7E,9E)-10-(4-Hydroxyphenyl)-3,5,7,9-decatetren-2-one |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 353.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E,5E,7E,9E)-10-(4-hydroxyphenyl)deca-3,5,7,9-tetraen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C16H16O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ONNZAZQZGRSKKD-VTXBTNDESA-N |
| Fcsp3 | 0.0625 |
| Logs | -3.325 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.861 |
| Compound Name | Navenone C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 240.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 240.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 240.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 4.0 |
| Esol | -3.6342390666666664 |
| Inchi | InChI=1S/C16H16O2/c1-14(17)8-6-4-2-3-5-7-9-15-10-12-16(18)13-11-15/h2-13,18H,1H3/b4-2+,5-3+,8-6+,9-7+ |
| Smiles | CC(=O)/C=C/C=C/C=C/C=C/C1=CC=C(C=C1)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 4.0 |
- 1. Outgoing r'ship
FOUND_INto/from Xanthium Strumarium (Plant) Rel Props:Source_db:cmaup_ingredients