Cudraphenone D
PubChem CID: 509243
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| Compound Synonyms | Cudraphenone D, [3-hydroxy-2-(3-methylbut-2-enyl)phenyl]-[2,4,6-trihydroxy-3-(3-methylbut-2-enyl)phenyl]methanone, (3-hydroxy-2-(3-methylbut-2-enyl)phenyl)-(2,4,6-trihydroxy-3-(3-methylbut-2-enyl)phenyl)methanone, CHEMBL458135, 327041-72-5, Methanone, [3-hydroxy-2-(3-methyl-2-butenyl)phenyl][2,4,6-trihydroxy-3-(3-methyl-2-butenyl)phenyl]- |
|---|---|
| Topological Polar Surface Area | 98.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 588.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [3-hydroxy-2-(3-methylbut-2-enyl)phenyl]-[2,4,6-trihydroxy-3-(3-methylbut-2-enyl)phenyl]methanone |
| Prediction Hob | 1.0 |
| Xlogp | 6.2 |
| Molecular Formula | C23H26O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RJRXEFUEAJKCQJ-UHFFFAOYSA-N |
| Fcsp3 | 0.2608695652173913 |
| Logs | -3.314 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.566 |
| Compound Name | Cudraphenone D |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 382.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 382.178 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 382.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.0698700571428565 |
| Inchi | InChI=1S/C23H26O5/c1-13(2)8-10-15-16(6-5-7-18(15)24)22(27)21-20(26)12-19(25)17(23(21)28)11-9-14(3)4/h5-9,12,24-26,28H,10-11H2,1-4H3 |
| Smiles | CC(=CCC1=C(C=CC=C1O)C(=O)C2=C(C=C(C(=C2O)CC=C(C)C)O)O)C |
| Nring | 2.0 |
| 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