Ovalifolin
PubChem CID: 15160715
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| Compound Synonyms | Ovalifolin, 55303-88-3, 6-(3-methylbut-2-enoxy)-2-phenylfuro(2,3-h)chromen-4-one, 6-(3-methylbut-2-enoxy)-2-phenylfuro[2,3-h]chromen-4-one, LMPK12110059, DB-325474, 6-[(3-METHYL-2-BUTENYL)OXY]-2-PHENYL-4H-FURO[2,3-H]-1-BENZOPYRAN-4-ONE |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 48.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC(C2CCCCC2)CC2C1CCC1CCCC12 |
| Np Classifier Class | Flavones |
| Deep Smiles | CC=CCOcccc=O)ccoc6cc%10occ5)))))))cccccc6)))))))))))))))C |
| Heavy Atom Count | 26.0 |
| Classyfire Class | Flavonoids |
| Scaffold Graph Node Level | OC1CC(C2CCCCC2)OC2C1CCC1OCCC12 |
| Classyfire Subclass | Flavones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 583.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-(3-methylbut-2-enoxy)-2-phenylfuro[2,3-h]chromen-4-one |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 5.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C22H18O4 |
| Scaffold Graph Node Bond Level | O=c1cc(-c2ccccc2)oc2c1ccc1occc12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VZSKLDHXYLNZMO-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 0.1363636363636363 |
| Logs | -6.308 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.132 |
| Synonyms | ovalifolin |
| Esol Class | Moderately soluble |
| Functional Groups | CC=C(C)C, c=O, cOC, coc |
| Compound Name | Ovalifolin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 346.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 346.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 346.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -4.948137630769231 |
| Inchi | InChI=1S/C22H18O4/c1-14(2)8-10-24-20-12-17-18(23)13-19(15-6-4-3-5-7-15)26-21(17)16-9-11-25-22(16)20/h3-9,11-13H,10H2,1-2H3 |
| Smiles | CC(=CCOC1=C2C(=C3C(=C1)C(=O)C=C(O3)C4=CC=CC=C4)C=CO2)C |
| Nring | 4.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Millettia Erythrocalyx (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Millettia Peguensis (Plant) Rel Props:Reference:ISBN:9788187748090 - 3. Outgoing r'ship
FOUND_INto/from Pongamia Pinnata (Plant) Rel Props:Reference:ISBN:9788185042145