Flemingin C
PubChem CID: 15559272
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| Compound Synonyms | Flemingin C, 18296-60-1, (E)-1-[5,8-dihydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl]-3-(2,5-dihydroxyphenyl)prop-2-en-1-one, 5,8-Dihydroxy-6-[(E)-3-(2,5-dihydroxyphenyl)-1-oxo-2-propenyl]-2-methyl-2-(4-methyl-3-pentenyl)-2H-1, CHEMBL3338398, LMPK12120132, 5,8-Dihydroxy-6-[(E)-3-(2,5-dihydroxyphenyl)-1-oxo-2-propenyl]-2-methyl-2-(4-methyl-3-pentenyl)-2H-1-benzopyran |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC(CCC1CCCCC1)C1CCC2CCCCC2C1 |
| Np Classifier Class | Chalcones |
| Deep Smiles | CC=CCCCC)C=CccO6)cO)ccc6O))C=O)/C=C/cccO)ccc6O)))))))))))))))))))))C |
| Heavy Atom Count | 31.0 |
| Classyfire Class | Linear 1,3-diarylpropanoids |
| Scaffold Graph Node Level | OC(CCC1CCCCC1)C1CCC2OCCCC2C1 |
| Classyfire Subclass | Chalcones and dihydrochalcones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 724.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-1-[5,8-dihydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl]-3-(2,5-dihydroxyphenyl)prop-2-en-1-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 5.7 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C25H26O6 |
| Scaffold Graph Node Bond Level | O=C(C=Cc1ccccc1)c1ccc2c(c1)C=CCO2 |
| Inchi Key | OFVKCCFSBLYGGS-SOFGYWHQSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 6.0 |
| Synonyms | flemingin c |
| Esol Class | Moderately soluble |
| Functional Groups | CC=C(C)C, c/C=C/C(c)=O, cC=CC, cO, cOC |
| Compound Name | Flemingin C |
| Exact Mass | 422.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 422.173 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 422.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C25H26O6/c1-15(2)5-4-11-25(3)12-10-18-23(30)19(14-22(29)24(18)31-25)21(28)8-6-16-13-17(26)7-9-20(16)27/h5-10,12-14,26-27,29-30H,4,11H2,1-3H3/b8-6+ |
| Smiles | CC(=CCCC1(C=CC2=C(C(=CC(=C2O1)O)C(=O)/C=C/C3=C(C=CC(=C3)O)O)O)C)C |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Crotalaria Grahamiana (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Flemingia Bracteata (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Flemingia Chappar (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Flemingia Congesta (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Flemingia Grahamiana (Plant) Rel Props:Source_db:npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Flemingia Macrophylla (Plant) Rel Props:Reference:ISBN:9788172360481 - 7. Outgoing r'ship
FOUND_INto/from Flemingia Nana (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Flemingia Paniculata (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Flemingia Philippinensis (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Flemingia Procumbens (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Flemingia Prostrata (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Flemingia Rhodocarpa (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Flemingia Stricta (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Flemingia Strobilifera (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Flemingia Tuberosa (Plant) Rel Props:Reference: