Kaempferol-3-O-rhamnoside

Details

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Internal ID 013daddf-7c2c-4ce9-8fca-4908d6ec82d8
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides
IUPAC Name 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
SMILES (Canonical) CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O
SMILES (Isomeric) CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O
InChI InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3
InChI Key SOSLMHZOJATCCP-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C21H20O10
Molecular Weight 432.40 g/mol
Exact Mass 432.10564683 g/mol
Topological Polar Surface Area (TPSA) 166.00 Ų
XlogP 1.20

Synonyms

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SCHEMBL12691631
CHEBI:182383
Kaempferin; Kaempferol-3-rhamnoside
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
FT-0775681
Ethanone,2-chloro-1-(3-fluorophenyl)-(9CI)

2D Structure

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2D Structure of Kaempferol-3-O-rhamnoside

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.74% 91.11%
CHEMBL1806 P11388 DNA topoisomerase II alpha 97.81% 89.00%
CHEMBL2581 P07339 Cathepsin D 97.15% 98.95%
CHEMBL1951 P21397 Monoamine oxidase A 97.15% 91.49%
CHEMBL2345 P51812 Ribosomal protein S6 kinase alpha 3 95.96% 95.64%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 94.21% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 93.73% 86.33%
CHEMBL3401 O75469 Pregnane X receptor 92.01% 94.73%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.52% 95.56%
CHEMBL3194 P02766 Transthyretin 87.79% 90.71%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 86.96% 90.71%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 86.13% 99.15%
CHEMBL5339 Q5NUL3 G-protein coupled receptor 120 85.98% 95.78%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.56% 99.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 84.33% 96.09%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 82.28% 99.23%
CHEMBL242 Q92731 Estrogen receptor beta 81.97% 98.35%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 81.04% 93.65%
CHEMBL4208 P20618 Proteasome component C5 80.60% 90.00%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Abies homolepis
Acer truncatum
Achillea micrantha
Agrimonia eupatoria
Agrimonia pilosa
Ajuga integrifolia
Albizia julibrissin
Alchornea glandulosa
Alnus japonica
Artemisia vulgaris
Ascarina lucida
Aureolaria virginica
Bauhinia multinervia
Begonia erythrophylla
Camellia crassicolumna
Camellia oleifera
Camellia reticulata
Carduus tenuiflorus
Cassinia laevis
Cassipourea gummiflua
Chamaecyparis formosensis
Cinnamomum philippinense
Clarkia heterandra
Clibadium surinamense
Cornus kousa
Corylus avellana
Crypteronia paniculata
Cryptomeria japonica
Cupressus sempervirens
Dendrophthoe falcata
Dermatophyllum secundiflorum
Dicranopteris pedata
Ephedra alata
Epilobium hirsutum
Epimedium sagittatum
Epimedium sutchuenense
Equisetum palustre
Erythrina mildbraedii
Erythrophleum fordii
Erythroxylum rufum
Esenbeckia grandiflora
Euphorbia hirta
Euphorbia petiolata
Excoecaria agallocha
Excoecaria cochinchinensis
Fissistigma pallens
Foeniculum vulgare
Fraxinus insularis
Fuchsia paniculata
Garcinia bancana
Guatteria rupestris
Havardia albicans
Houttuynia cordata
Iryanthera sagotiana
Ixora coccinea
Jatropha variegata
Juglans mandshurica
Juniperus communis var. depressa
Leptothyrsa sprucei
Ligustrum vulgare
Luculia pinceana
Macrothelypteris torresiana
Mallotus metcalfianus
Malpighia emarginata
Malus sylvestris
Melaleuca ericifolia
Melaleuca quinquenervia
Moquilea pyrifolia
Morinda morindoides
Nectandra gardneri
Nectandra grandiflora
Neolitsea parvigemma
Neolitsea sericea
Nymphaea odorata
Ochna gamblei
Ochradenus baccatus
Oenothera glaucifolia
Parnassia kotzebuei
Phedimus stoloniferus
Phoebe formosana
Phyllanthus emblica
Pinus sylvestris
Psephellus huber-morathii
Psephellus schischkinii
Pterogyne nitens
Reseda duriaeana
Reseda muricata
Rodgersia podophylla
Rosa gallica
Rubus pungens
Sclerocarya birrea
Senecio scandens
Stevia rebaudiana
Sticherus quadripartitus
Tetrapanax papyrifer
Tilia cordata
Tilia tomentosa
Tripterospermum chinense
Uncaria hirsuta
Vancouveria hexandra
Viburnum tinus
Vicia tenuifolia
Warburgia stuhlmannii
Warburgia ugandensis
Zingiber ottensii
Zingiber zerumbet

Cross-Links

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PubChem 5835713
LOTUS LTS0211340
wikiData Q104197482