Cudraphenone A
PubChem CID: 11793144
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| Compound Synonyms | Cudraphenone A, (7-hydroxy-2,2-dimethylchromen-6-yl)-(3-hydroxy-2-(3-methylbut-2-enyl)phenyl)methanone, (7-hydroxy-2,2-dimethylchromen-6-yl)-[3-hydroxy-2-(3-methylbut-2-enyl)phenyl]methanone, CHEMBL517213, 327041-69-0 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 601.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (7-hydroxy-2,2-dimethylchromen-6-yl)-[3-hydroxy-2-(3-methylbut-2-enyl)phenyl]methanone |
| Prediction Hob | 1.0 |
| Xlogp | 6.0 |
| Molecular Formula | C23H24O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KOJDUQIWHNYJEM-UHFFFAOYSA-N |
| Fcsp3 | 0.2608695652173913 |
| Logs | -3.328 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.543 |
| Compound Name | Cudraphenone A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 364.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 364.167 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 364.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.919223088888889 |
| Inchi | InChI=1S/C23H24O4/c1-14(2)8-9-16-17(6-5-7-19(16)24)22(26)18-12-15-10-11-23(3,4)27-21(15)13-20(18)25/h5-8,10-13,24-25H,9H2,1-4H3 |
| Smiles | CC(=CCC1=C(C=CC=C1O)C(=O)C2=C(C=C3C(=C2)C=CC(O3)(C)C)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Maclura Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all