Sericetin
PubChem CID: 4020240
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| Compound Synonyms | Sericetin, 5,7-dihydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-8-phenylpyrano[3,2-g]chromen-6-one, KBio1_001233, 5,7-dihydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-8-phenylpyrano(3,2-g)chromen-6-one, 5,7-dihydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-8-phenyl-6-pyrano(3,2-g)(1)benzopyranone, 5,7-dihydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-8-phenyl-6-pyrano[3,2-g][1]benzopyranone, Spectrum_000230, SpecPlus_000193, Spectrum2_001897, Spectrum3_001265, Spectrum4_001525, Spectrum5_000030, BSPBio_002830, KBioGR_001930, KBioSS_000710, SPECTRUM201581, DivK1c_006289, SPBio_001834, CHEMBL1495541, CHEBI:92096, KBio2_000710, KBio2_003278, KBio2_005846, KBio3_002330, CCG-38470, LMPK12111649, SDCCGMLS-0066871.P001, NCGC00095833-01, NCGC00095833-02, NCGC00178448-01, 42438-75-5, BRD-K05433219-001-01-8, Q27163888 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC(C2CCCCC2)CC2CC3CCCCC3CC12 |
| Np Classifier Class | Flavonols |
| Deep Smiles | CC=CCccOCC)C)C=Cc6ccc%10occccccc6))))))cc6=O))O))))))O)))))))))))C |
| Heavy Atom Count | 30.0 |
| Classyfire Class | Flavonoids |
| Scaffold Graph Node Level | OC1CC(C2CCCCC2)OC2CC3OCCCC3CC12 |
| Classyfire Subclass | Flavones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 766.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q9F4F7, P02791, P08684, O94782, Q9Y6L6, Q9NPD5 |
| Iupac Name | 5,7-dihydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-8-phenylpyrano[3,2-g]chromen-6-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 6.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C25H24O5 |
| Scaffold Graph Node Bond Level | O=c1cc(-c2ccccc2)oc2cc3c(cc12)C=CCO3 |
| Inchi Key | BPGVKIFGOXGHPB-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | sericetin |
| Esol Class | Poorly soluble |
| Functional Groups | CC=C(C)C, c=O, cC=CC, cO, cOC, coc |
| Compound Name | Sericetin |
| Exact Mass | 404.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 404.162 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 404.5 |
| 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/C25H24O5/c1-14(2)10-11-17-23-16(12-13-25(3,4)30-23)19(26)18-20(27)21(28)22(29-24(17)18)15-8-6-5-7-9-15/h5-10,12-13,26,28H,11H2,1-4H3 |
| Smiles | CC(=CCC1=C2C(=C(C3=C1OC(=C(C3=O)O)C4=CC=CC=C4)O)C=CC(O2)(C)C)C |
| 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 Mundulea Sericea (Plant) Rel Props:Reference:ISBN:9770972795006