2-(3,4-dihydroxyphenyl)-8-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-hydroxychromen-4-one
PubChem CID: 16081691
Connections displayed (default: 10).
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| Prediction Swissadme | 0.0 |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | SWGONUIXZUDUSG-FRKPEAEDSA-N |
| Fcsp3 | 0.24 |
| Rotatable Bond Count | 6.0 |
| Heavy Atom Count | 30.0 |
| Compound Name | 2-(3,4-dihydroxyphenyl)-8-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-hydroxychromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 406.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 406.178 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 702.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 406.5 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,4-dihydroxyphenyl)-8-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-hydroxychromen-4-one |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Prediction Hob | 1.0 |
| Esol | -5.578130266666667 |
| Inchi | InChI=1S/C25H26O5/c1-15(2)5-4-6-16(3)7-9-18-20(26)12-10-19-22(28)14-24(30-25(18)19)17-8-11-21(27)23(29)13-17/h5,7-8,10-14,26-27,29H,4,6,9H2,1-3H3/b16-7+ |
| Smiles | CC(=CCC/C(=C/CC1=C(C=CC2=C1OC(=CC2=O)C3=CC(=C(C=C3)O)O)O)/C)C |
| Xlogp | 5.9 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C25H26O5 |
- 1. Outgoing r'ship
FOUND_INto/from Paeonia Rockii (Plant) Rel Props:Source_db:cmaup_ingredients