Parvifoliol F
PubChem CID: 52948706
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| Compound Synonyms | Parvifoliol F, CHEMBL1254370 |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 596.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,5-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-8-ol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 8.6 |
| Is Pains | False |
| Molecular Formula | C27H40O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QRHNWEMRCICKFH-QRCIITMISA-N |
| Fcsp3 | 0.5555555555555556 |
| Rotatable Bond Count | 9.0 |
| Compound Name | Parvifoliol F |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 396.303 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 396.303 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 396.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -7.2635164482758645 |
| Inchi | InChI=1S/C27H40O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-18-27(6)19-17-24-23(5)15-16-25(28)26(24)29-27/h10,12,14-16,28H,7-9,11,13,17-19H2,1-6H3/b21-12+,22-14+ |
| Smiles | CC1=C2CCC(OC2=C(C=C1)O)(C)CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Paucinervis (Plant) Rel Props:Source_db:cmaup_ingredients