5-Hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-3-(2-methylbut-3-en-2-yl)-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one
PubChem CID: 73355670
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL2442949, BDBM50442398 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 35.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 926.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P10481 |
| Iupac Name | 5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-3-(2-methylbut-3-en-2-yl)-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 7.4 |
| Molecular Formula | C30H32O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RREXXCHIBJFPKH-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Logs | -2.151 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.343 |
| Compound Name | 5-Hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-3-(2-methylbut-3-en-2-yl)-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 472.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 472.225 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 472.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.923687914285715 |
| Inchi | InChI=1S/C30H32O5/c1-8-29(4,5)23-15-21-25(32)24-26(33)22(18-10-12-19(31)13-11-18)16-34-28(24)20(14-9-17(2)3)27(21)35-30(23,6)7/h8-13,15-16,31-32H,1,14H2,2-7H3 |
| Smiles | CC(=CCC1=C2C(=C(C3=C1OC=C(C3=O)C4=CC=C(C=C4)O)O)C=C(C(O2)(C)C)C(C)(C)C=C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
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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: