Dulcisisoflavone
PubChem CID: 11632843
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| Compound Synonyms | Dulcisisoflavone, 9-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-5-hydroxy-2,2-dimethyl-3,4-dihydropyrano(2,3-f)chromen-10-one, 9-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-5-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one, 869669-59-0 |
|---|---|
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 725.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-5-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Molecular Formula | C25H26O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | AAVIPCXEXKHNTR-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -3.052 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.133 |
| Compound Name | Dulcisisoflavone |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 406.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 406.178 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 406.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.208830266666668 |
| Inchi | InChI=1S/C25H26O5/c1-24(2)9-7-15-11-14(5-6-19(15)29-24)17-13-28-20-12-18(26)16-8-10-25(3,4)30-23(16)21(20)22(17)27/h5-6,11-13,26H,7-10H2,1-4H3 |
| Smiles | CC1(CCC2=C(O1)C=CC(=C2)C3=COC4=C(C3=O)C5=C(CCC(O5)(C)C)C(=C4)O)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Dulcis (Plant) Rel Props:Source_db:cmaup_ingredients