Kazinol F
PubChem CID: 184311
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| Compound Synonyms | Kazinol F, 104494-35-1, 1,2-Benzenediol, 5-(3-(2,4-dihydroxyphenyl)propyl)-3,4-bis(3-methyl-2-butenyl)-, 5-[3-(2,4-dihydroxyphenyl)propyl]-3,4-bis(3-methylbut-2-enyl)benzene-1,2-diol, CHEMBL457677, DTXSID10146504, 1,2-Benzenediol,5-[3-(2,4-dihydroxyphenyl)propyl]-3,4-bis(3-methyl-2-buten-1-yl)-, 5-(3-(2,4-dihydroxyphenyl)propyl)-3,4-bis(3-methylbut-2-enyl)benzene-1,2-diol, SCHEMBL7555982, DTXCID0068995, BDBM50251001, AKOS040752241, DA-74730, HY-113732, 3,4-Bis((2E)-3-methylbut-2-enyl)-5-[3-(2,4-dihydroxyphenyl)propyl]benzene-1,2-diol |
|---|---|
| Topological Polar Surface Area | 80.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 547.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O42713 |
| Iupac Name | 5-[3-(2,4-dihydroxyphenyl)propyl]-3,4-bis(3-methylbut-2-enyl)benzene-1,2-diol |
| Prediction Hob | 1.0 |
| Xlogp | 7.1 |
| Molecular Formula | C25H32O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PNQQDEFGJPUAGZ-UHFFFAOYSA-N |
| Fcsp3 | 0.36 |
| Logs | -3.123 |
| Rotatable Bond Count | 8.0 |
| Logd | 4.093 |
| Compound Name | Kazinol F |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 396.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 396.23 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 396.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.555974296551725 |
| Inchi | InChI=1S/C25H32O4/c1-16(2)8-12-21-19(7-5-6-18-10-11-20(26)15-23(18)27)14-24(28)25(29)22(21)13-9-17(3)4/h8-11,14-15,26-29H,5-7,12-13H2,1-4H3 |
| Smiles | CC(=CCC1=C(C(=C(C=C1CCCC2=C(C=C(C=C2)O)O)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