3-[3,4-Dihydroxy-2,5-bis(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychromen-4-one
PubChem CID: 12096316
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL2442950, BDBM50442396, 5,7,3',4'-tetrahydroxy-2',5'-di(3-methylbut-2-enyl)isoflavone |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 745.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P10481 |
| Iupac Name | 3-[3,4-dihydroxy-2,5-bis(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 6.2 |
| Molecular Formula | C25H26O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RWGZXUWGOARVDQ-UHFFFAOYSA-N |
| Fcsp3 | 0.24 |
| Logs | -2.975 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.032 |
| Compound Name | 3-[3,4-Dihydroxy-2,5-bis(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 422.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 422.173 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 422.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.894392883870968 |
| Inchi | InChI=1S/C25H26O6/c1-13(2)5-7-15-9-18(17(8-6-14(3)4)25(30)23(15)28)19-12-31-21-11-16(26)10-20(27)22(21)24(19)29/h5-6,9-12,26-28,30H,7-8H2,1-4H3 |
| Smiles | CC(=CCC1=CC(=C(C(=C1O)O)CC=C(C)C)C2=COC3=CC(=CC(=C3C2=O)O)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
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FOUND_INto/from Flemingia Congesta (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Flemingia Grahamiana (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Flemingia Macrophylla (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Flemingia Nana (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Flemingia Paniculata (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Flemingia Philippinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
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FOUND_INto/from Flemingia Strobilifera (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Flemingia Tuberosa (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Mallotus Philippinensis (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Podocarpus Philippinensis (Plant) Rel Props:Reference: