Kazinol J
PubChem CID: 21637732
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| Compound Synonyms | Kazinol J, 5-(3-(4-hydroxy-2-methoxyphenyl)propyl)-3,4-bis(3-methylbut-2-enyl)benzene-1,2-diol, 5-[3-(4-hydroxy-2-methoxyphenyl)propyl]-3,4-bis(3-methylbut-2-enyl)benzene-1,2-diol, CHEMBL464845, 104778-05-4 |
|---|---|
| Topological Polar Surface Area | 69.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 561.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[3-(4-hydroxy-2-methoxyphenyl)propyl]-3,4-bis(3-methylbut-2-enyl)benzene-1,2-diol |
| Prediction Hob | 0.0 |
| Xlogp | 7.4 |
| Molecular Formula | C26H34O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BUWRWZUUCOLPSX-UHFFFAOYSA-N |
| Fcsp3 | 0.3846153846153846 |
| Logs | -3.567 |
| Rotatable Bond Count | 9.0 |
| Logd | 4.277 |
| Compound Name | Kazinol J |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 410.246 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 410.246 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 410.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.774634800000001 |
| Inchi | InChI=1S/C26H34O4/c1-17(2)9-13-22-20(15-24(28)26(29)23(22)14-10-18(3)4)8-6-7-19-11-12-21(27)16-25(19)30-5/h9-12,15-16,27-29H,6-8,13-14H2,1-5H3 |
| Smiles | CC(=CCC1=C(C(=C(C=C1CCCC2=C(C=C(C=C2)O)OC)O)O)CC=C(C)C)C |
| Nring | 2.0 |
| 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