Dodoviscin E
PubChem CID: 57409966
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| Compound Synonyms | dodoviscin E, 5,7-dihydroxy-2-(4-hydroxy-3-((E)-4-hydroxy-3-methylbut-2-enyl)-5-(3-methylbut-2-enyl)phenyl)-3-methoxychromen-4-one, 5,7-dihydroxy-2-[4-hydroxy-3-[(E)-4-hydroxy-3-methylbut-2-enyl]-5-(3-methylbut-2-enyl)phenyl]-3-methoxychromen-4-one, CHEMBL2037151 |
|---|---|
| Topological Polar Surface Area | 116.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 33.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 794.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-2-[4-hydroxy-3-[(E)-4-hydroxy-3-methylbut-2-enyl]-5-(3-methylbut-2-enyl)phenyl]-3-methoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.4 |
| Molecular Formula | C26H28O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DYGOJNXBKFEBBQ-GIDUJCDVSA-N |
| Fcsp3 | 0.2692307692307692 |
| Logs | -3.313 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.066 |
| Compound Name | Dodoviscin E |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 452.184 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 452.184 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 452.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.610406478787881 |
| Inchi | InChI=1S/C26H28O7/c1-14(2)5-7-16-9-18(10-17(23(16)30)8-6-15(3)13-27)25-26(32-4)24(31)22-20(29)11-19(28)12-21(22)33-25/h5-6,9-12,27-30H,7-8,13H2,1-4H3/b15-6+ |
| Smiles | CC(=CCC1=C(C(=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC)C/C=C(\C)/CO)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dodonaea Viscosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all