Hinokiflavone
PubChem CID: 5281627
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| Compound Synonyms | Hinokiflavone, 19202-36-9, 4',6''-O-Biapigenin, GFF5VYC4NB, CHEBI:5721, 6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one, 4H-1-benzopyran-4-one, 6-[4-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)phenoxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-, EINECS 242-877-4, 4H-1-Benzopyran-4-one, 6-(4-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)phenoxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-, DTXSID90172760, 6-(4-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)phenoxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, 6-[4-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)phenoxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, FLAVONE, 4',5,5'',7,7''-PENTAHYDROXY-4''',6-OXYDI-, 6-(4-(5,7-DIHYDROXY-4-OXO-4H-1-BENZOPYRAN-2-YL)PHENOXY)-5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-4H-1-BENZOPYRAN-4-ONE, 6-(4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one, MFCD00017455, UNII-GFF5VYC4NB, SCHEMBL617272, DTXCID0095251, WTDHMFBJQJSTMH-UHFFFAOYSA-N, HY-N2360, MSK165721, AKOS015896714, FH74127, AS-77430, DB-044781, CS-0022542, NS00026264, Q27089354, 4',6''-o-Biapigenin, 4',6''-Biapigenin, 4',6-Biapigenin, 242-877-4, 4H-1-Benzopyran-4-one, 6-(4-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)phenoxy)-5,7-dihyd- roxy-2-(4-hydroxyphenyl)-, 6-(4-(5,7-Dihydroxy-4-oxo-4H-1-benzopyran-2-yl)phenoxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone, 6-[4-(5,7-dihydroxy-4-oxo-chromen-2-yl)phenoxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one, Hinokiflavone6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 163.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC(C2CCC(CC3CCC4CC(C5CCCCC5)CC(C)C4C3)CC2)CC2CCCCC12 |
| Np Classifier Class | Flavones |
| Deep Smiles | Occcccc6))ccc=O)cco6)cccc6O))Occcccc6))ccc=O)cco6)cccc6O)))O))))))))))))))O |
| Heavy Atom Count | 40.0 |
| Classyfire Class | Flavonoids |
| Scaffold Graph Node Level | OC1CC(C2CCC(OC3CCC4OC(C5CCCCC5)CC(O)C4C3)CC2)OC2CCCCC12 |
| Classyfire Subclass | Flavones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1020.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P43235, Q72547, P03468, P56817, n.a., P05067 |
| Iupac Name | 6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Prediction Hob | 0.0 |
| Veber Rule | False |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Target Id | NPT78 |
| Xlogp | 4.4 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C30H18O10 |
| Scaffold Graph Node Bond Level | O=c1cc(-c2ccc(Oc3ccc4oc(-c5ccccc5)cc(=O)c4c3)cc2)oc2ccccc12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WTDHMFBJQJSTMH-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 0.0 |
| Logs | -4.276 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.38 |
| Synonyms | hinokiflavone |
| Esol Class | Poorly soluble |
| Functional Groups | c=O, cO, cOc, coc |
| Compound Name | Hinokiflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 538.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 538.09 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 538.5 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | False |
| Esol | -5.850076800000002 |
| Inchi | InChI=1S/C30H18O10/c31-16-5-1-14(2-6-16)24-12-21(35)28-26(40-24)13-22(36)30(29(28)37)38-18-7-3-15(4-8-18)23-11-20(34)27-19(33)9-17(32)10-25(27)39-23/h1-13,31-33,36-37H |
| Smiles | C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC4=CC=C(C=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O |
| Nring | 6.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Flavonoids |
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