5,7-dihydroxy-4-phenyl-2H-chromen-2-one
PubChem CID: 5398649
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 7758-73-8, 5,7-Dihydroxy-4-phenylcoumarin, 5,7-dihydroxy-4-phenyl-2H-chromen-2-one, Serratin, LC3-mHTT-IN-AN2, 5,7-dihydroxy-4-phenylchromen-2-one, 2H-1-Benzopyran-2-one, 5,7-dihydroxy-4-phenyl-, 5,7-Dihydroxy-4-phenyl-2H-1-benzopyran-2-one, 5,7-Dihydroxy-4-phenyl-chromen-2-one, MFCD01078551, MLS001210370, SMR000514295, 5 7-DIHYDROXY-4-PHENYLCOUMARIN, Oprea1_027529, Oprea1_843402, CHEMBL600635, IFLab1_001433, SCHEMBL3787335, BDBM69688, cid_5398649, EX-A8423E, 5,7-dihydroxy-4-phenyl-coumarin, DTXSID90228251, CHEBI:197005, HUQKUJNSVHEHIH-UHFFFAOYSA-N, REGID_for_CID_5398649, HMS1416B03, HMS2824C11, HMS3468P06, ALBB-015457, BBL029152, LMPK12100031, STK088787, XH1438, AKOS000574851, NCGC00245137-01, AS-64358, 5,7-bis(oxidanyl)-4-phenyl-chromen-2-one, CL-271149, HY-130259, 5,7-dihydroxy-4-phenyl-1-benzopyran-2-one, CS-0106129, NS00067013, D95986, EN300-303110, AB00684264-01, AB00684264-07, SR-01000361755, SR-01000361755-1, 622-107-7 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC2CCCCC2C(C2CCCCC2)C1 |
| Np Classifier Class | Neoflavonoids |
| Deep Smiles | OcccO)ccc6)oc=O)cc6cccccc6 |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Neoflavonoids |
| Scaffold Graph Node Level | OC1CC(C2CCCCC2)C2CCCCC2O1 |
| Classyfire Subclass | Neoflavones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 384.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P51679, Q9F4F7, Q92830, Q96QE3, O95149, Q9GZV3, Q99700, P01215, Q9NUW8, P37840, Q03431, Q9NR56, Q8AYA1 |
| Iupac Name | 5,7-dihydroxy-4-phenylchromen-2-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 2.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H10O4 |
| Scaffold Graph Node Bond Level | O=c1cc(-c2ccccc2)c2ccccc2o1 |
| Inchi Key | HUQKUJNSVHEHIH-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | serratin |
| Esol Class | Soluble |
| Functional Groups | c=O, cO, coc |
| Compound Name | 5,7-dihydroxy-4-phenyl-2H-chromen-2-one |
| Exact Mass | 254.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 254.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 254.24 |
| 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 |
| Inchi | InChI=1S/C15H10O4/c16-10-6-12(17)15-11(9-4-2-1-3-5-9)8-14(18)19-13(15)7-10/h1-8,16-17H |
| Smiles | C1=CC=C(C=C1)C2=CC(=O)OC3=CC(=CC(=C23)O)O |
| 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 Huperzia Serrata (Plant) Rel Props:Reference:ISBN:9788185042145