Ficuisoflavone
PubChem CID: 10546044
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| Compound Synonyms | ficuisoflavone, 5,7-dihydroxy-3-((3S)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)chromen-4-one, 5,7-dihydroxy-3-[(3S)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]chromen-4-one, CHEMBL459025, 186415-86-1 |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 599.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 5,7-dihydroxy-3-[(3S)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]chromen-4-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Is Pains | False |
| Molecular Formula | C20H18O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HUHGGORLMLOUCC-KRWDZBQOSA-N |
| Fcsp3 | 0.25 |
| Rotatable Bond Count | 1.0 |
| Compound Name | Ficuisoflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 354.11 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 354.11 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 354.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.837604215384616 |
| Inchi | InChI=1S/C20H18O6/c1-20(2)17(23)6-11-5-10(3-4-15(11)26-20)13-9-25-16-8-12(21)7-14(22)18(16)19(13)24/h3-5,7-9,17,21-23H,6H2,1-2H3/t17-/m0/s1 |
| Smiles | CC1([C@H](CC2=C(O1)C=CC(=C2)C3=COC4=CC(=CC(=C4C3=O)O)O)O)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Erythrina Vogelii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all