(+)-(2R)Kazinol I
PubChem CID: 46871916
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| Compound Synonyms | (+)-(2R)kazinol I, CHEMBL1083326, 5-((2R)-7-hydroxy-3,4-dihydro-2H-chromen-2-yl)-3,4-bis(3-methylbut-2-enyl)benzene-1,2-diol, 5-[(2R)-7-hydroxy-3,4-dihydro-2H-chromen-2-yl]-3,4-bis(3-methylbut-2-enyl)benzene-1,2-diol, BDBM50320307 |
|---|---|
| Topological Polar Surface Area | 69.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 590.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | Q92731, P03372 |
| Iupac Name | 5-[(2R)-7-hydroxy-3,4-dihydro-2H-chromen-2-yl]-3,4-bis(3-methylbut-2-enyl)benzene-1,2-diol |
| Prediction Hob | 0.0 |
| Target Id | NPT248, NPT108 |
| Xlogp | 6.6 |
| Molecular Formula | C25H30O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AOUGZVKCLQLQNU-HSZRJFAPSA-N |
| Fcsp3 | 0.36 |
| Logs | -3.16 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.155 |
| Compound Name | (+)-(2R)Kazinol I |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 394.214 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 394.214 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 394.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.4201750965517235 |
| Inchi | InChI=1S/C25H30O4/c1-15(2)5-10-19-20(11-6-16(3)4)25(28)22(27)14-21(19)23-12-8-17-7-9-18(26)13-24(17)29-23/h5-7,9,13-14,23,26-28H,8,10-12H2,1-4H3/t23-/m1/s1 |
| Smiles | CC(=CCC1=C(C(=C(C=C1[C@H]2CCC3=C(O2)C=C(C=C3)O)O)O)CC=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