Dodoviscin B
PubChem CID: 57409963
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| Compound Synonyms | dodoviscin B, 5,7-dihydroxy-2-(4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)-5-(3-methylbut-2-enyl)phenyl)-3,6-dimethoxychromen-4-one, 5,7-dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)-5-(3-methylbut-2-enyl)phenyl]-3,6-dimethoxychromen-4-one, CHEMBL2037149 |
|---|---|
| Topological Polar Surface Area | 126.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 35.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 844.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)-5-(3-methylbut-2-enyl)phenyl]-3,6-dimethoxychromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 5.6 |
| Molecular Formula | C27H30O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FNHZTQPLQXIFKH-UHFFFAOYSA-N |
| Fcsp3 | 0.2962962962962963 |
| Logs | -3.859 |
| Rotatable Bond Count | 8.0 |
| Logd | 2.783 |
| Compound Name | Dodoviscin B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 482.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 482.194 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 482.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.8171655142857155 |
| Inchi | InChI=1S/C27H30O8/c1-13(2)7-8-15-9-17(10-16(22(15)30)11-18(28)14(3)4)25-27(34-6)24(32)21-20(35-25)12-19(29)26(33-5)23(21)31/h7,9-10,12,18,28-31H,3,8,11H2,1-2,4-6H3 |
| Smiles | CC(=CCC1=C(C(=CC(=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC)CC(C(=C)C)O)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dodonaea Viscosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all