Flemingsin
PubChem CID: 15719494
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | FLEMINGSIN, CHEMBL2442946, BDBM50442402, 5,7-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-6,8-bis(3-methylbut-2-enyl)chromen-4-one |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 760.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P10481, P18031 |
| Iupac Name | 5,7-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-6,8-bis(3-methylbut-2-enyl)chromen-4-one |
| Prediction Hob | 0.0 |
| Target Id | NPT178 |
| Xlogp | 6.5 |
| Molecular Formula | C26H28O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HTHLDJJBNQWUJJ-UHFFFAOYSA-N |
| Fcsp3 | 0.2692307692307692 |
| Logs | -3.274 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.155 |
| Compound Name | Flemingsin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 436.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 436.189 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 436.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.111324800000002 |
| Inchi | InChI=1S/C26H28O6/c1-14(2)6-9-17-23(28)18(10-7-15(3)4)26-22(24(17)29)25(30)19(13-32-26)16-8-11-20(27)21(12-16)31-5/h6-8,11-13,27-29H,9-10H2,1-5H3 |
| Smiles | CC(=CCC1=C(C(=C2C(=C1O)C(=O)C(=CO2)C3=CC(=C(C=C3)O)OC)CC=C(C)C)O)C |
| Nring | 3.0 |
| 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 - 2. Outgoing r'ship
FOUND_INto/from Pongamia Pinnata (Plant) Rel Props:Source_db:npass_chem_all