3'-geranyl-6'-O-methylchalconaringenin
PubChem CID: 24971180
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL480721, 3'-geranyl-6'-O-methylchalconaringenin |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 653.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-1-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 6.9 |
| Molecular Formula | C26H30O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KVLODOJZOXFBNP-PVKHHADTSA-N |
| Fcsp3 | 0.2692307692307692 |
| Logs | -3.815 |
| Rotatable Bond Count | 9.0 |
| Logd | 4.18 |
| Compound Name | 3'-geranyl-6'-O-methylchalconaringenin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 422.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 422.209 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 422.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -6.517981812903226 |
| Inchi | InChI=1S/C26H30O5/c1-17(2)6-5-7-18(3)8-14-21-23(29)16-24(31-4)25(26(21)30)22(28)15-11-19-9-12-20(27)13-10-19/h6,8-13,15-16,27,29-30H,5,7,14H2,1-4H3/b15-11+,18-8+ |
| Smiles | CC(=CCC/C(=C/CC1=C(C(=C(C=C1O)OC)C(=O)/C=C/C2=CC=C(C=C2)O)O)/C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Humulus Lupulus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all