3-(Gamma,Gamma-Dimethylpropenyl)Moracinm
PubChem CID: 42605184
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| Compound Synonyms | 3-(gamma,gamma-dimethylpropenyl)moracinM, CHEMBL463125, 5-(6-hydroxy-7-(3-methylbut-2-enyl)-1-benzofuran-2-yl)benzene-1,3-diol, 5-[6-hydroxy-7-(3-methylbut-2-enyl)-1-benzofuran-2-yl]benzene-1,3-diol, BDBM50269598 |
|---|---|
| Topological Polar Surface Area | 73.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 421.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P23219, P35354 |
| Iupac Name | 5-[6-hydroxy-7-(3-methylbut-2-enyl)-1-benzofuran-2-yl]benzene-1,3-diol |
| Prediction Hob | 1.0 |
| Target Id | NPT30, NPT31 |
| Xlogp | 4.8 |
| Molecular Formula | C19H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PMSZSXKBGUQXFG-UHFFFAOYSA-N |
| Fcsp3 | 0.1578947368421052 |
| Logs | -3.41 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.66 |
| Compound Name | 3-(Gamma,Gamma-Dimethylpropenyl)Moracinm |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 310.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 310.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 310.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.1042724956521734 |
| Inchi | InChI=1S/C19H18O4/c1-11(2)3-5-16-17(22)6-4-12-9-18(23-19(12)16)13-7-14(20)10-15(21)8-13/h3-4,6-10,20-22H,5H2,1-2H3 |
| Smiles | CC(=CCC1=C(C=CC2=C1OC(=C2)C3=CC(=CC(=C3)O)O)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artocarpus Dadah (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Morus Mongolica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all