Vitamin P

Details

Top
Internal ID a2aa2c0c-93f3-46e3-807d-bd9bc1e29db6
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides
IUPAC Name 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
SMILES (Canonical) CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
SMILES (Isomeric) CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
InChI InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3
InChI Key IKGXIBQEEMLURG-UHFFFAOYSA-N
Popularity 73 references in papers

Physical and Chemical Properties

Top
Molecular Formula C27H30O16
Molecular Weight 610.50 g/mol
Exact Mass 610.15338487 g/mol
Topological Polar Surface Area (TPSA) 266.00 Ų
XlogP -1.30

Synonyms

Top
Vitamin P
Quercetin 3-O-robinobioside
Osyritin
949926-49-2
DL-Rutin
Sophorin
Ilixathin
Rutosid
52525-35-6
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

Top
2D Structure of Vitamin P

3D Structure

Top

ADMET Properties (via admetSAR 2)

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

Targets

Top

Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
CHEMBL340 P08684 Cytochrome P450 3A4 3162.3 nM
3162.3 nM
Potency
Potency
via CMAUP
via CMAUP
CHEMBL1293226 B2RXH2 Lysine-specific demethylase 4D-like 11220.2 nM
Potency
via CMAUP
CHEMBL1293224 P10636 Microtubule-associated protein tau 28183.8 nM
Potency
via CMAUP

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 99.56% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 98.83% 91.49%
CHEMBL1806 P11388 DNA topoisomerase II alpha 97.65% 89.00%
CHEMBL2581 P07339 Cathepsin D 97.61% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 95.54% 86.33%
CHEMBL3401 O75469 Pregnane X receptor 94.10% 94.73%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 93.12% 94.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 91.47% 99.15%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.08% 96.09%
CHEMBL2345 P51812 Ribosomal protein S6 kinase alpha 3 90.74% 95.64%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.29% 99.17%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.03% 95.56%
CHEMBL3194 P02766 Transthyretin 84.94% 90.71%
CHEMBL2085 P14174 Macrophage migration inhibitory factor 83.66% 80.78%
CHEMBL5339 Q5NUL3 G-protein coupled receptor 120 81.66% 95.78%
CHEMBL4208 P20618 Proteasome component C5 81.49% 90.00%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 80.91% 93.65%
CHEMBL3714130 P46095 G-protein coupled receptor 6 80.66% 97.36%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 80.13% 99.23%

Plants that contains it

Top
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.
Abeliophyllum distichum
Acalypha indica
Acanthospermum australe
Achillea alexandri-regis
Achillea collina
Achillea millefolium
Achillea roseo-alba
Acmella ciliata
Acritopappus longifolius
Agrimonia eupatoria
Ajuga integrifolia
Akebia quinata
Alangium platanifolium
Alhagi maurorum
Amelanchier bartramiana
Anacardium humile
Anastatica hierochuntica
Anchusa azurea
Androsace septentrionalis
Androsace umbellata
Anthriscus sylvestris
Argemone mexicana
Argemone polyanthemos
Aristolochia kaempferi
Artemisia armeniaca
Artemisia capillaris
Artemisia igniaria
Artemisia monosperma
Artemisia vulgaris
Asarum canadense
Asclepias curassavica
Asparagus officinalis
Asperula oppositifolia
Aster indicus
Astragalus asper
Astragalus babatagi
Astragalus bornmuellerianus
Astragalus captiosus
Astragalus cicer
Astragalus coluteocarpus
Astragalus eupeplus
Astragalus floccosifolius
Astragalus kabadianus
Astragalus levieri
Astragalus mongholicus
Astragalus onobrychis
Astragalus quisqualis
Atropanthe sinensis
Baccharis gaudichaudiana
Baccharis thesioides
Barringtonia racemosa
Bauhinia tomentosa
Begonia erythrophylla
Begonia fagifolia
Bellis perennis
Berberis vulgaris
Berchemia formosana
Beta vulgaris
Betula alnoides
Betula fruticosa
Bidens pilosa
Bridelia ferruginea
Bupleurum falcatum
Bupleurum rotundifolium
Calea clausseniana
Calea prunifolia
Calendula officinalis
Camellia crassicolumna
Camellia japonica
Camellia sinensis
Campanula alata
Campanula barbata
Campanula bayerniana
Campanula glomerata subsp. hispida
Campanula persicifolia
Capparis spinosa
Caragana arborescens
Caragana aurantiaca
Caragana pygmaea
Caragana spinosa
Carex folliculata
Carthamus tinctorius
Casimiroa tetrameria
Cassytha filiformis
Celastrus hindsii
Chaiturus marrubiastrum
Chenopodium album
Chimarrhis turbinata
Chromolaena odorata
Cinnamomum philippinense
Cinnamomum verum
Cistus ladanifer
Citrus × aurantium
Citrus maxima
Clematis stans
Clematis terniflora
Clitoria ternatea
Colubrina asiatica
Coriandrum sativum
Cornus mas
Corydalis bungeana
Crataegus sanguinea
Crataegus viridis
Crescentia alata
Cressa cretica
Cuscuta chinensis
Cussonia arborea
Cyclamen persicum
Cydonia oblonga
Dalbergia sissoo
Danae racemosa
Daucus carota
Dicranopteris linearis
Dictamnus dasycarpus
Diospyros cathayensis
Discaria chacaye
Dracaena ombet
Dracocephalum moldavica
Echinacea purpurea
Entada phaseoloides
Erigeron canadensis
Eucalyptus cypellocarpa
Eucalyptus viminalis
Eucommia ulmoides
Euphorbia chamaesyce
Euphorbia esula
Euphorbia granulata
Euphorbia humifusa
Euphorbia petiolata
Euphorbia retusa
Euphorbia smirnovii
Euryops arabicus
Excoecaria agallocha
Fabiana imbricata
Fagopyrum acutatum
Fagopyrum esculentum
Falconeria insignis
Ficus carica
Ficus pandurata
Ficus ruficaulis
Foeniculum vulgare
Forsythia ovata
Forsythia suspensa
Fraxinus americana
Genista pichisermolliana
Geranium collinum
Geranium pusillum
Geranium rectum
Ginkgo biloba
Glehnia littoralis
Gomphocarpus fruticosus
Goodyera schlechtendaliana
Grevillea robusta
Gymnema sylvestre
Haloxylon scoparium
Hedlundia thuringiaca
Hedysarum setigerum
Helichrysum arenarium
Hibiscus cannabinus
Himalaiella deltoidea
Hydrangea paniculata
Hyoscyamus niger
Hypericum attenuatum
Hypericum elegans
Hypericum laricifolium
Hypericum perforatum
Hypericum richeri
Ichthyothere terminalis
Ilex aquifolium
Ilex dunniana
Ilex hainanensis
Ilex paraguariensis
Jasminum mesnyi
Juniperus communis
Juniperus sabina
Kaempferia parviflora
Khaya senegalensis
Lactuca indica
Laennecia filaginoides
Lagochilus platycalyx
Lamium album
Laserpitium latifolium
Lathyrus aphaca
Lathyrus pratensis
Leucadendron microcephalum
Leucanthemum vulgare
Limnanthes douglasii
Limonium gmelinii
Litchi chinensis
Lycopus europaeus
Macaranga tanarius
Maesa lanceolata
Mallotus japonicus
Malus pumila
Marrubium velutinum
Mayaca fluviatilis
Medicago truncatula
Melilotus sulcatus
Morinda citrifolia
Morinda morindoides
Moringa oleifera
Morus alba
Nelumbo nucifera
Nerium oleander
Nigella sativa
Olea europaea
Onobrychis arenaria subsp. arenaria
Onobrychis bobrovii
Onobrychis cyri
Onobrychis grandis
Onobrychis viciifolia
Opuntia ficus-indica
Oryctes nevadensis
Oxytropis racemosa
Oxytropis strobilacea
Paliurus spina-christi
Panzerina canescens
Panzerina lanata
Paronychia kapela
Pelargonium reniforme
Persicaria hydropiper
Petasites japonicus
Peucedanum japonicum
Phaseolus vulgaris
Phlebodium decumanum
Phoenix canariensis
Phyllanthus amarus
Phyllanthus emblica
Phyllanthus virgatus
Physalis angulata
Physalis longifolia
Picea abies
Plantago lanceolata
Plinia cauliflora
Podocarpus fasciculus
Podophyllum hexandrum
Polygala amarella
Polygonatum orientale
Potentilla anserina
Prosopis farcta
Prunus armeniaca
Prunus domestica
Prunus persica
Prunus virginiana var. demissa
Psydrax dicoccos
Pterogyne nitens
Pueraria montana var. lobata
Pulicaria salviifolia
Pyracantha coccinea
Pyrus communis
Ranunculus peltatus
Rhamnus disperma
Rheum rhabarbarum
Rhynchosia hirta
Ribes nigrum
Ripariosida hermaphrodita
Roldana angulifolia
Roldana lobata
Rosmarinus officinalis
Rubia tinctorum
Rubus idaeus
Rumex japonicus
Ruta graveolens
Salsola collina
Salvia blepharophylla
Sambucus nigra
Schinus molle
Scurrula atropurpurea
Selenicereus undatus
Sempervivum ruthenicum
Senna italica subsp. italica
Senna multijuga
Serenoa repens
Seriphidium cinum
Seriphidium transiliense
Silphium perfoliatum
Solidago altissima
Solidago canadensis
Sorbus aria
Sorbus intermedia
Spinacia oleracea
Strychnos pseudoquina
Strychnos variabilis
Stylosanthes erecta
Styphnolobium japonicum
Suriana maritima
Tephrosia purpurea subsp. purpurea
Tephrosia vogelii
Terminalia catappa
Tetradium glabrifolium
Thymus algeriensis
Toona sinensis
Tordylium apulum
Tripodanthus acutifolius
Uncaria hirsuta
Vachellia tortilis subsp. raddiana
Vahlia capensis
Verbascum phlomoides
Viburnum plicatum
Viburnum tinus
Vicia sativa
Vigna radiata var. radiata
Vitis vinifera
Withania somnifera
Zanthoxylum bungeanum
Ziziphus jujuba

Cross-Links

Top
PubChem 5293655
NPASS NPC134532
ChEMBL CHEMBL32579
LOTUS LTS0042292
wikiData Q27163468