Fremontin
PubChem CID: 5487268
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| Compound Synonyms | Fremontin, 124166-27-4, 3-[2,4-dihydroxy-5-(2-methylbut-3-en-2-yl)phenyl]-5,7-dihydroxychromen-4-one, DTXSID30154227, 5'-(alpha,alpha-Dimethylallyl)-5,7,2',4'-tetrahydroxyisoflavone, 5,7,2',4'-Tetrahydroxy-5'-(1''',1'''-dimethylallyl)isoflavone, 4H-1-Benzopyran-4-one, 3-(5-(1,1-dimethyl-2-propenyl)-2,4-dihydroxyphenyl)-5,7-dihydroxy-, 3-(2,4-dihydroxy-5-(2-methylbut-3-en-2-yl)phenyl)-5,7-dihydroxychromen-4-one, SCHEMBL571451, CHEMBL523643, DTXCID4076718, LMPK12050294 |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 597.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[2,4-dihydroxy-5-(2-methylbut-3-en-2-yl)phenyl]-5,7-dihydroxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C20H18O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XWUWFNSZQDCXCD-UHFFFAOYSA-N |
| Fcsp3 | 0.15 |
| Logs | -3.884 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.885 |
| Compound Name | Fremontin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 354.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 354.11 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 354.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.480504215384616 |
| Inchi | InChI=1S/C20H18O6/c1-4-20(2,3)13-7-11(14(22)8-15(13)23)12-9-26-17-6-10(21)5-16(24)18(17)19(12)25/h4-9,21-24H,1H2,2-3H3 |
| Smiles | CC(C)(C=C)C1=C(C=C(C(=C1)C2=COC3=CC(=CC(=C3C2=O)O)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Psorothamnus Arborescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all