Pawhuskin B
PubChem CID: 11199792
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| Compound Synonyms | Pawhuskin B, 4-[(E)-2-[5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-7-yl]ethenyl]benzene-1,2-diol, 4-((E)-2-(5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-7-yl)ethenyl)benzene-1,2-diol, CHEMBL469723, 656235-32-4 |
|---|---|
| Topological Polar Surface Area | 69.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 606.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[(E)-2-[5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-7-yl]ethenyl]benzene-1,2-diol |
| Prediction Hob | 1.0 |
| Xlogp | 6.0 |
| Molecular Formula | C24H26O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UAIWPLZXOFABMI-VOTSOKGWSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.632 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.518 |
| Compound Name | Pawhuskin B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 378.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 378.183 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 378.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.9536444571428575 |
| Inchi | InChI=1S/C24H26O4/c1-16(2)5-4-11-24(3)12-10-19-21(26)14-18(15-23(19)28-24)7-6-17-8-9-20(25)22(27)13-17/h5-10,12-15,25-27H,4,11H2,1-3H3/b7-6+ |
| Smiles | CC(=CCCC1(C=CC2=C(C=C(C=C2O1)/C=C/C3=CC(=C(C=C3)O)O)O)C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalea Purpurea (Plant) Rel Props:Source_db:cmaup_ingredients