Broussoflavonol G
PubChem CID: 10368916
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| Compound Synonyms | Broussoflavonol G, 2-(4,5-dihydroxy-2,3-bis(3-methylbut-2-enyl)phenyl)-3,5,7-trihydroxy-8-(3-methylbut-2-enyl)chromen-4-one, 2-[4,5-dihydroxy-2,3-bis(3-methylbut-2-enyl)phenyl]-3,5,7-trihydroxy-8-(3-methylbut-2-enyl)chromen-4-one, CHEMBL516319, LMPK12112288, 128341-11-7 |
|---|---|
| Topological Polar Surface Area | 127.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 37.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 949.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 2-[4,5-dihydroxy-2,3-bis(3-methylbut-2-enyl)phenyl]-3,5,7-trihydroxy-8-(3-methylbut-2-enyl)chromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 7.9 |
| Molecular Formula | C30H34O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XYNNBNIJZARIJF-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Logs | -2.623 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.793 |
| Compound Name | Broussoflavonol G |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 506.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 506.23 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 506.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.481989000000002 |
| Inchi | InChI=1S/C30H34O7/c1-15(2)7-10-18-19(11-8-16(3)4)26(34)24(33)13-21(18)30-28(36)27(35)25-23(32)14-22(31)20(29(25)37-30)12-9-17(5)6/h7-9,13-14,31-34,36H,10-12H2,1-6H3 |
| Smiles | CC(=CCC1=C(C(=C(C=C1C2=C(C(=O)C3=C(C=C(C(=C3O2)CC=C(C)C)O)O)O)O)O)CC=C(C)C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artocarpus Heterophyllus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Broussonetia Papyrifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Morus Australis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all