Kazinol K
PubChem CID: 21637682
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| Compound Synonyms | Kazinol K, 4-(3-(8-hydroxy-2,2-dimethyl-5-(3-methylbut-2-enyl)chromen-6-yl)propyl)-6-(2-methylbut-3-en-2-yl)benzene-1,3-diol, 4-[3-[8-hydroxy-2,2-dimethyl-5-(3-methylbut-2-enyl)chromen-6-yl]propyl]-6-(2-methylbut-3-en-2-yl)benzene-1,3-diol, CHEMBL454306, 104494-38-4 |
|---|---|
| Topological Polar Surface Area | 69.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 34.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 747.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[3-[8-hydroxy-2,2-dimethyl-5-(3-methylbut-2-enyl)chromen-6-yl]propyl]-6-(2-methylbut-3-en-2-yl)benzene-1,3-diol |
| Prediction Hob | 0.0 |
| Xlogp | 8.4 |
| Molecular Formula | C30H38O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WDJNJKJPBQVUPY-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -2.435 |
| Rotatable Bond Count | 8.0 |
| Logd | 5.328 |
| Compound Name | Kazinol K |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 462.277 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 462.277 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 462.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.739782470588236 |
| Inchi | InChI=1S/C30H38O4/c1-8-29(4,5)24-16-21(25(31)18-26(24)32)11-9-10-20-17-27(33)28-23(14-15-30(6,7)34-28)22(20)13-12-19(2)3/h8,12,14-18,31-33H,1,9-11,13H2,2-7H3 |
| Smiles | CC(=CCC1=C2C=CC(OC2=C(C=C1CCCC3=CC(=C(C=C3O)O)C(C)(C)C=C)O)(C)C)C |
| Nring | 3.0 |
| 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 - 2. Outgoing r'ship
FOUND_INto/from Broussonetia Papyrifera (Plant) Rel Props:Reference: