5,7,3',4'-Tetrahydroxy-6-geranylflavonol
PubChem CID: 10895435
Connections displayed (default: 10).
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| Compound Synonyms | 5,7,3',4'-tetrahydroxy-6-geranylflavonol, CHEMBL457261, SCHEMBL6822261, SCHEMBL6822263, 376361-90-9 |
|---|---|
| Topological Polar Surface Area | 127.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 779.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P11511 |
| Iupac Name | 2-(3,4-dihydroxyphenyl)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5,7-trihydroxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.9 |
| Molecular Formula | C25H26O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DMSHSZYADCTYHE-VGOFMYFVSA-N |
| Fcsp3 | 0.24 |
| Logs | -2.735 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.847 |
| Compound Name | 5,7,3',4'-Tetrahydroxy-6-geranylflavonol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 438.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 438.168 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 438.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.915651200000001 |
| Inchi | InChI=1S/C25H26O7/c1-13(2)5-4-6-14(3)7-9-16-18(27)12-20-21(22(16)29)23(30)24(31)25(32-20)15-8-10-17(26)19(28)11-15/h5,7-8,10-12,26-29,31H,4,6,9H2,1-3H3/b14-7+ |
| Smiles | CC(=CCC/C(=C/CC1=C(C2=C(C=C1O)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O)/C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Betula Papyrifera (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Boswellia Papyrifera (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Broussonetia Kazinoki (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Broussonetia Papyrifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all