Kazinol Q
PubChem CID: 10600152
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| Compound Synonyms | KAZINOL Q, 4-[7-hydroxy-6-(2-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-2-yl]-3,6-bis(3-methylbut-2-enyl)benzene-1,2-diol, 4-(7-hydroxy-6-(2-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-2-yl)-3,6-bis(3-methylbut-2-enyl)benzene-1,2-diol, CHEMBL453275, LMPK12020238, 219908-10-8 |
|---|---|
| Topological Polar Surface Area | 69.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 34.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 745.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 4-[7-hydroxy-6-(2-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-2-yl]-3,6-bis(3-methylbut-2-enyl)benzene-1,2-diol |
| Prediction Hob | 0.0 |
| Xlogp | 8.5 |
| Molecular Formula | C30H38O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QYAYOTREGBICCU-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -3.863 |
| Rotatable Bond Count | 7.0 |
| Logd | 4.63 |
| Compound Name | Kazinol Q |
| 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 | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.893982470588237 |
| Inchi | InChI=1S/C30H38O4/c1-8-30(6,7)24-16-20-12-14-26(34-27(20)17-25(24)31)23-15-21(11-9-18(2)3)28(32)29(33)22(23)13-10-19(4)5/h8-10,15-17,26,31-33H,1,11-14H2,2-7H3 |
| Smiles | CC(=CCC1=CC(=C(C(=C1O)O)CC=C(C)C)C2CCC3=CC(=C(C=C3O2)O)C(C)(C)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