Peucenin
PubChem CID: 68477
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| Compound Synonyms | Peucenin, 578-72-3, 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-methyl-6-(3-methyl-2-butenyl)-, 6537KW8ZQY, Chromone, 5,7-dihydroxy-2-methyl-6-(3-methyl-2-butenyl)-, 5,7-Dihydroxy-2-methyl-6-(3-methylbut-2-en-1-yl)-4H-chromen-4-one, 5,7-Dihydroxy-2-methyl-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one, Spectrum_000553, SpecPlus_000018, Spectrum2_000344, Spectrum3_000095, Spectrum4_001371, Spectrum5_000042, UNII-6537KW8ZQY, BSPBio_001650, KBioGR_001662, KBioSS_001033, SPECTRUM100528, DivK1c_006114, SPBio_000407, CHEMBL1415085, SCHEMBL15106595, KBio1_001058, KBio2_001033, KBio2_003601, KBio2_006169, KBio3_000750, DTXSID00973386, DTNGBIGBPPPNNB-UHFFFAOYSA-N, CCG-38619, SDCCGMLS-0066289.P001, NCGC00095426-01, NCGC00095426-02, NCGC00179118-01, SR-05000002510, SR-05000002510-1, BRD-K73103240-001-03-3, 5,7-dihydroxy-2-methyl-6-(3-methylbut-2-enyl)chromone, 5,7-Dihydroxy-2-methyl-6-(3-methyl-2-butenyl)-4H-chromen-4-one #, 5,7-Dihydroxy-2-methyl-6-(3-methylbut-2-en-1-yl)-4H-1-benzopyran-4-one, 5,7-DIHYDROXY-2-METHYL-6-(3-METHYL-2-BUTEN-1-YL)-4H-1-BENZOPYRAN-4-ONE |
|---|---|
| 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 | CC1CCCC2CCCCC12 |
| Np Classifier Class | Chromones |
| Deep Smiles | CC=CCccO)cccc6O))c=O)cco6)C)))))))))))C |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Benzopyrans |
| Scaffold Graph Node Level | OC1CCOC2CCCCC12 |
| Classyfire Subclass | 1-benzopyrans |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 420.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-2-methyl-6-(3-methylbut-2-enyl)chromen-4-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H16O4 |
| Scaffold Graph Node Bond Level | O=c1ccoc2ccccc12 |
| Inchi Key | DTNGBIGBPPPNNB-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | peucenin |
| Esol Class | Moderately soluble |
| Functional Groups | CC=C(C)C, c=O, cO, coc |
| Compound Name | Peucenin |
| Exact Mass | 260.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 260.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 260.279 |
| 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/C15H16O4/c1-8(2)4-5-10-11(16)7-13-14(15(10)18)12(17)6-9(3)19-13/h4,6-7,16,18H,5H2,1-3H3 |
| Smiles | CC1=CC(=O)C2=C(O1)C=C(C(=C2O)CC=C(C)C)O |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Chromanes |
- 1. Outgoing r'ship
FOUND_INto/from Skimmia Laureola (Plant) Rel Props:Reference:ISBN:9788185042138