Kazinol C
PubChem CID: 21637679
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| Compound Synonyms | kazinol C, CHEMBL466200, 5-[3-[2,4-dihydroxy-5-(2-methylbut-3-en-2-yl)phenyl]propyl]-3,4-bis(3-methylbut-2-enyl)benzene-1,2-diol, 5-(3-(2,4-dihydroxy-5-(2-methylbut-3-en-2-yl)phenyl)propyl)-3,4-bis(3-methylbut-2-enyl)benzene-1,2-diol, SCHEMBL14815139, BDBM50254429 |
|---|---|
| Topological Polar Surface Area | 80.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 34.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 701.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O42713 |
| Iupac Name | 5-[3-[2,4-dihydroxy-5-(2-methylbut-3-en-2-yl)phenyl]propyl]-3,4-bis(3-methylbut-2-enyl)benzene-1,2-diol |
| Prediction Hob | 0.0 |
| Xlogp | 9.1 |
| Molecular Formula | C30H40O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YCJJCTRPAGXWGX-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -2.919 |
| Rotatable Bond Count | 10.0 |
| Logd | 4.543 |
| Compound Name | Kazinol C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 464.293 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 464.293 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 464.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.029781670588237 |
| Inchi | InChI=1S/C30H40O4/c1-8-30(6,7)25-16-22(26(31)18-27(25)32)11-9-10-21-17-28(33)29(34)24(15-13-20(4)5)23(21)14-12-19(2)3/h8,12-13,16-18,31-34H,1,9-11,14-15H2,2-7H3 |
| Smiles | CC(=CCC1=C(C(=C(C=C1CCCC2=CC(=C(C=C2O)O)C(C)(C)C=C)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