Xanthoangelol H
PubChem CID: 6479089
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| Compound Synonyms | Xanthoangelol H, 6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':2',3']-4'-hydroxy-4'-methoxychalcone, 6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano(2'',3'':2',3')-4'-hydroxy-4'-methoxychalcone, MLS002472957, SCHEMBL5997891, CHEMBL1733408, SCHEMBL14523845, HMS2270B22, LMPK12120095, (E)-1-(3-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one, SMR001397065, (E)-1-(3-hydroxy-5-methoxy-2,2-dimethyl-chroman-8-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one, 2-Propen-1-one, 1-(3,4-dihydro-3-hydroxy-5-methoxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-3-(4-hydroxyphenyl)-, (2E)-, 265652-89-9 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | BLZMHRPUJFCGIJ-UXBLZVDNSA-N |
| Rotatable Bond Count | 4.0 |
| Synonyms | 6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':2',3']-4'-hydroxy-4'-methoxychalcone |
| Heavy Atom Count | 26.0 |
| Compound Name | Xanthoangelol H |
| Description | Xanthoangelol h belongs to hydroxycinnamic acids and derivatives class of compounds. Those are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated. Thus, xanthoangelol h is considered to be a flavonoid lipid molecule. Xanthoangelol h is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Xanthoangelol h can be found in angelica, which makes xanthoangelol h a potential biomarker for the consumption of this food product. |
| Exact Mass | 354.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 354.147 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 520.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 354.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-1-(3-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C21H22O5/c1-21(2)19(24)12-16-18(25-3)11-9-15(20(16)26-21)17(23)10-6-13-4-7-14(22)8-5-13/h4-11,19,22,24H,12H2,1-3H3/b10-6+ |
| Smiles | CC1(C(CC2=C(C=CC(=C2O1)C(=O)/C=C/C3=CC=C(C=C3)O)OC)O)C |
| Xlogp | 3.3 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C21H22O5 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Keiskei (Plant) Rel Props:Source_db:fooddb_chem_all