Broussonol A
PubChem CID: 10342975
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| Compound Synonyms | Broussonol A, 339524-98-0, 3,5,7,8'-Tetrahydroxy-2',2'-dimethyl-8-(2-methylbut-3-en-2-yl)-2'H,4H-[2,6'-bichromen]-4-one, 3,5,7-trihydroxy-2-(8-hydroxy-2,2-dimethylchromen-6-yl)-8-(2-methylbut-3-en-2-yl)chromen-4-one, CHEMBL457085, CHEBI:186846, LMPK12112297 |
|---|---|
| Topological Polar Surface Area | 116.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 841.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5,7-trihydroxy-2-(8-hydroxy-2,2-dimethylchromen-6-yl)-8-(2-methylbut-3-en-2-yl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.4 |
| Molecular Formula | C25H24O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PSJXCDCTKCAYCB-UHFFFAOYSA-N |
| Fcsp3 | 0.24 |
| Logs | -3.121 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.349 |
| Compound Name | Broussonol A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 436.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 436.152 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 436.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.748352000000001 |
| Inchi | InChI=1S/C25H24O7/c1-6-24(2,3)18-15(27)11-14(26)17-19(29)20(30)22(31-23(17)18)13-9-12-7-8-25(4,5)32-21(12)16(28)10-13/h6-11,26-28,30H,1H2,2-5H3 |
| Smiles | CC1(C=CC2=C(O1)C(=CC(=C2)C3=C(C(=O)C4=C(O3)C(=C(C=C4O)O)C(C)(C)C=C)O)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Broussonetia Kazinoki (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Broussonetia Papyrifera (Plant) Rel Props:Reference: