Kazinol D
PubChem CID: 21637680
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Kazinol D, CHEMBL454305, 4-(3-(8-hydroxy-2,2-dimethyl-5-(3-methylbut-2-enyl)-3,4-dihydrochromen-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)-3,4-dihydrochromen-6-yl]propyl]-6-(2-methylbut-3-en-2-yl)benzene-1,3-diol, BDBM50241624, 104494-33-9 |
|---|---|
| Topological Polar Surface Area | 69.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 34.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 707.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O42713, n.a. |
| Iupac Name | 4-[3-[8-hydroxy-2,2-dimethyl-5-(3-methylbut-2-enyl)-3,4-dihydrochromen-6-yl]propyl]-6-(2-methylbut-3-en-2-yl)benzene-1,3-diol |
| Prediction Hob | 0.0 |
| Xlogp | 8.5 |
| Molecular Formula | C30H40O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ADFDRHICFIZUNK-UHFFFAOYSA-N |
| Fcsp3 | 0.4666666666666667 |
| Logs | -2.3 |
| Rotatable Bond Count | 8.0 |
| Logd | 4.893 |
| Compound Name | Kazinol D |
| 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 | -7.790081670588237 |
| Inchi | InChI=1S/C30H40O4/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/h8,12,16-18,31-33H,1,9-11,13-15H2,2-7H3 |
| Smiles | CC(=CCC1=C2CCC(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