[2,4-Dihydroxy-5-(3-methylbut-2-enyl)phenyl]-[3-hydroxy-2-(3-methylbut-2-enyl)phenyl]methanone
PubChem CID: 11793280
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| Compound Synonyms | CHEMBL457950 |
|---|---|
| Topological Polar Surface Area | 77.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 557.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-[3-hydroxy-2-(3-methylbut-2-enyl)phenyl]methanone |
| Prediction Hob | 1.0 |
| Xlogp | 6.6 |
| Molecular Formula | C23H26O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SPKHVSDLQSVOCD-UHFFFAOYSA-N |
| Fcsp3 | 0.2608695652173913 |
| Logs | -3.372 |
| Rotatable Bond Count | 6.0 |
| Logd | 4.13 |
| Compound Name | [2,4-Dihydroxy-5-(3-methylbut-2-enyl)phenyl]-[3-hydroxy-2-(3-methylbut-2-enyl)phenyl]methanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 366.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 366.183 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 366.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.20292228888889 |
| Inchi | InChI=1S/C23H26O4/c1-14(2)8-10-16-12-19(22(26)13-21(16)25)23(27)18-6-5-7-20(24)17(18)11-9-15(3)4/h5-9,12-13,24-26H,10-11H2,1-4H3 |
| Smiles | CC(=CCC1=CC(=C(C=C1O)O)C(=O)C2=C(C(=CC=C2)O)CC=C(C)C)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