Cudranone
PubChem CID: 191694
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| Compound Synonyms | Cudranone, 63596-94-1, 2,6,3'-Trihydroxy-4-methoxy-2'-(3-methyl-2-butenyl)benzophenone, DTXSID00212969, (2,6-dihydroxy-4-methoxyphenyl)-[3-hydroxy-2-(3-methylbut-2-enyl)phenyl]methanone, (2,6-dihydroxy-4-methoxyphenyl)-(3-hydroxy-2-(3-methylbut-2-enyl)phenyl)methanone, CHEMBL513610, DTXCID80135460, Methanone, (2,6-dihydroxy-4-methoxyphenyl)[3-hydroxy-2-(3-methyl-2-butenyl)phenyl]-, DB-292146, 2,3',6-Trihydroxy-4-methoxy-2'-(3-methyl-2-butenyl)benzophenone, (2,6-dihydroxy-4-methoxy-phenyl)-[3-hydroxy-2-(3-methylbut-2-enyl)phenyl]methanone |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 445.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2,6-dihydroxy-4-methoxyphenyl)-[3-hydroxy-2-(3-methylbut-2-enyl)phenyl]methanone |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C19H20O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PPLJPJXZLUVDGT-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -3.799 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.618 |
| Compound Name | Cudranone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 328.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 328.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 328.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.8453568 |
| Inchi | InChI=1S/C19H20O5/c1-11(2)7-8-13-14(5-4-6-15(13)20)19(23)18-16(21)9-12(24-3)10-17(18)22/h4-7,9-10,20-22H,8H2,1-3H3 |
| Smiles | CC(=CCC1=C(C=CC=C1O)C(=O)C2=C(C=C(C=C2O)OC)O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Carduus Crispus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Maclura Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all