8-Lavandulylkaempferol
PubChem CID: 16083184
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| Compound Synonyms | 8-lavandulylkaempferol, 883859-83-4, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)chromen-4-one, CHEBI:66558, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-[5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-4H-chromen-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl)-4H-chromen-4-one, 8- Lavandulylkaempferol, SCHEMBL572270, CHEMBL463941, BDBM645354, HY-N2779, IKB85983, AKOS025288688, FS-8640, US20240016777, Table1a.5, DA-50022, CS-0023288, Q27135169 |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 741.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 6.3 |
| Molecular Formula | C25H26O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RLJJIYPLHFCLRD-UHFFFAOYSA-N |
| Fcsp3 | 0.24 |
| Logs | -3.156 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.353 |
| Compound Name | 8-Lavandulylkaempferol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 422.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 422.173 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 422.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.023692883870968 |
| Inchi | InChI=1S/C25H26O6/c1-13(2)5-6-16(14(3)4)11-18-19(27)12-20(28)21-22(29)23(30)24(31-25(18)21)15-7-9-17(26)10-8-15/h5,7-10,12,16,26-28,30H,3,6,11H2,1-2,4H3 |
| Smiles | CC(=CCC(CC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)O)C(=C)C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sophora Flavescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all