Flemiphilippinin A
PubChem CID: 10074228
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| Compound Synonyms | Flemiphilippinin A, 140366-64-9, 7-(3,4-dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-3-(2-methylbut-3-en-2-yl)-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one, CHEMBL2442948, C30H32O6, 3-(3,4-Dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-10-(3-methylbut-2-en-1-yl)-7-(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-4(8H)-one, 3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-10-(3-methylbut-2-en-1-yl)-7-(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-4-one, 7-(3,4-dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-3-(2-methylbut-3-en-2-yl)-10-(3-methylbut-2-enyl)pyrano(3,2-g)chromen-6-one, CHEBI:228870, HY-N4316, QFA36664, BDBM50442399, AKOS037515006, DA-73379, MS-29081, CS-0032738, E80667 |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 36.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 968.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P10481 |
| Iupac Name | 7-(3,4-dihydroxyphenyl)-5-hydroxy-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 | 7.0 |
| Molecular Formula | C30H32O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VBTMMYSERQFPPK-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Logs | -1.989 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.8 |
| Compound Name | Flemiphilippinin A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 488.22 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 488.22 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 488.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.78668488888889 |
| Inchi | InChI=1S/C30H32O6/c1-8-29(4,5)23-14-19-25(33)24-26(34)20(17-10-12-21(31)22(32)13-17)15-35-28(24)18(11-9-16(2)3)27(19)36-30(23,6)7/h8-10,12-15,31-33H,1,11H2,2-7H3 |
| Smiles | CC(=CCC1=C2C(=C(C3=C1OC=C(C3=O)C4=CC(=C(C=C4)O)O)O)C=C(C(O2)(C)C)C(C)(C)C=C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Flemingia Philippinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all