Kaempferol 3-O-alpha-L-(3-trans-p-coumaroyl-rhamnopyranoside)
PubChem CID: 16747731
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Kaempferol 3-O-alpha-L-(3-trans-p-coumaroyl-rhamnopyranoside) |
|---|---|
| Topological Polar Surface Area | 192.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 42.0 |
| Description | Kaempferol 3-o-alpha-l-(3-trans-p-coumaroyl-rhamnopyranoside) is a member of the class of compounds known as flavonoid-3-o-glycosides. Flavonoid-3-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Kaempferol 3-o-alpha-l-(3-trans-p-coumaroyl-rhamnopyranoside) is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Kaempferol 3-o-alpha-l-(3-trans-p-coumaroyl-rhamnopyranoside) can be found in coriander, which makes kaempferol 3-o-alpha-l-(3-trans-p-coumaroyl-rhamnopyranoside) a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1030.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | [(2S,3R,4R,5S,6S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate |
| Nih Violation | False |
| Class | Flavonoids |
| Xlogp | 3.5 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | Flavonoid glycosides |
| Molecular Formula | C30H26O12 |
| Inchi Key | DAIIZVGCRDFTIV-SRWXCESMSA-N |
| Rotatable Bond Count | 7.0 |
| Synonyms | (2S,3R,4R,5S,6S)-2-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoic acid, Kaempferol 3-O-a-L-(3-trans-p-coumaroyl-rhamnopyranoside), Kaempferol 3-O-α-L-(3-trans-p-coumaroyl-rhamnopyranoside) |
| Compound Name | Kaempferol 3-O-alpha-L-(3-trans-p-coumaroyl-rhamnopyranoside) |
| Kingdom | Organic compounds |
| Exact Mass | 578.142 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 578.142 |
| Hydrogen Bond Acceptor Count | 12.0 |
| Molecular Weight | 578.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C30H26O12/c1-14-24(36)28(41-22(35)11-4-15-2-7-17(31)8-3-15)26(38)30(39-14)42-29-25(37)23-20(34)12-19(33)13-21(23)40-27(29)16-5-9-18(32)10-6-16/h2-14,24,26,28,30-34,36,38H,1H3/b11-4+/t14-,24-,26+,28+,30-/m0/s1 |
| Smiles | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)OC(=O)/C=C/C5=CC=C(C=C5)O)O |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Flavonoid-3-O-glycosides |
- 1. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all