Protoapigenin
PubChem CID: 89910041
Connections displayed (default: 10).
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| Compound Synonyms | Protoapigenin, 879325-07-2, SCHEMBL15395253, HY-N10691, DA-57163, CS-0634297, G88915 |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 520.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(1,4-dihydroxycyclohexa-2,5-dien-1-yl)-5,7-dihydroxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.0 |
| Molecular Formula | C15H12O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BXZYQTCXZAHTCI-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -2.735 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.547 |
| Compound Name | Protoapigenin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 288.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.063 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 288.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9828619523809516 |
| Inchi | InChI=1S/C15H12O6/c16-8-1-3-15(20,4-2-8)13-7-11(19)14-10(18)5-9(17)6-12(14)21-13/h1-8,16-18,20H |
| Smiles | C1=CC(C=CC1O)(C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Daphne Oleoides (Plant) Rel Props:Source_db:cmaup_ingredients