2-(4,5-Dihydroxy-2-methoxyphenyl)-5,7-dihydroxy-3,8-bis(3-methylbut-2-enyl)chromen-4-one
PubChem CID: 163010099
Connections displayed (default: 10).
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| Topological Polar Surface Area | 116.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 33.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 805.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4,5-dihydroxy-2-methoxyphenyl)-5,7-dihydroxy-3,8-bis(3-methylbut-2-enyl)chromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 6.1 |
| Molecular Formula | C26H28O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CHTVZEGPHZDBTO-UHFFFAOYSA-N |
| Fcsp3 | 0.2692307692307692 |
| Logs | -2.724 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.427 |
| Compound Name | 2-(4,5-Dihydroxy-2-methoxyphenyl)-5,7-dihydroxy-3,8-bis(3-methylbut-2-enyl)chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| 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 | 0.0 |
| Esol | -6.319006478787879 |
| Inchi | InChI=1S/C26H28O7/c1-13(2)6-8-15-18(27)11-21(30)23-24(31)16(9-7-14(3)4)25(33-26(15)23)17-10-19(28)20(29)12-22(17)32-5/h6-7,10-12,27-30H,8-9H2,1-5H3 |
| Smiles | CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC(=C(C=C3OC)O)O)CC=C(C)C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Paeonia Rockii (Plant) Rel Props:Source_db:cmaup_ingredients