Tectochrysin

Details

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Internal ID 92be7ac0-101d-4500-aef6-3a9e32d9cb7c
Taxonomy Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids
IUPAC Name 5-hydroxy-7-methoxy-2-phenylchromen-4-one
SMILES (Canonical) COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O
SMILES (Isomeric) COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O
InChI InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3
InChI Key IRZVHDLBAYNPCT-UHFFFAOYSA-N
Popularity 232 references in papers

Physical and Chemical Properties

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Molecular Formula C16H12O4
Molecular Weight 268.26 g/mol
Exact Mass 268.07355886 g/mol
Topological Polar Surface Area (TPSA) 55.80 Ų
XlogP 2.40

Synonyms

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520-28-5
5-Hydroxy-7-methoxyflavone
5-Hydroxy-7-methoxy-2-phenyl-4H-chromen-4-one
Techtochrysin
7-Methoxy-5-hydroxyflavone
Methyl chrysin
7-O-METHYLCHRYSIN
Techtochrysine
5-hydroxy-7-methoxy-2-phenylchromen-4-one
4H-1-Benzopyran-4-one, 5-hydroxy-7-methoxy-2-phenyl-
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Tectochrysin

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
CHEMBL3622 P33261 Cytochrome P450 2C19 398.1 nM
Potency
via CMAUP
CHEMBL3397 P11712 Cytochrome P450 2C9 2511.9 nM
Potency
via CMAUP
CHEMBL340 P08684 Cytochrome P450 3A4 10000 nM
10000 nM
Potency
Potency
via CMAUP
via CMAUP
CHEMBL1293224 P10636 Microtubule-associated protein tau 4466.8 nM
1122 nM
Potency
Potency
via CMAUP
via CMAUP
CHEMBL1293277 O15118 Niemann-Pick C1 protein 5623.4 nM
Potency
via CMAUP
CHEMBL1963 P16473 Thyroid stimulating hormone receptor 31622.8 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 98.80% 91.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 97.02% 85.14%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.61% 95.56%
CHEMBL2581 P07339 Cathepsin D 95.39% 98.95%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 95.14% 99.15%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 92.55% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.06% 86.33%
CHEMBL3192 Q9BY41 Histone deacetylase 8 89.78% 93.99%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 89.35% 95.50%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 87.16% 99.23%
CHEMBL1806 P11388 DNA topoisomerase II alpha 86.47% 89.00%
CHEMBL3401 O75469 Pregnane X receptor 82.92% 94.73%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.99% 99.17%

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.
Aconitum contortum
Aconitum variegatum
Ageratum houstonianum
Alnus sieboldiana
Alpinia oxyphylla
Alpinia zerumbet
Alstonia spectabilis
Ammodendron karelinii
Amorphophallus konjac
Anacyclus pyrethrum
Andrographis macrobotrys
Aniba santalodora
Anodendron affine
Arnica parryi
Aster tataricus
Astragalus circassicus
Beilschmiedia madang
Bellardia viscosa
Bethencourtia palmensis
Boesenbergia rotunda
Boswellia ovalifoliolata
Brachylaena perrieri
Buglossoides arvensis
Buxus hildebrandtii
Callicarpa acuminata
Campanula bayerniana
Caucasalia pontica
Cedrela salvadorensis
Centaurea scoparia
Centaurea sphaerocephala subsp. sphaerocephala
Ceriops tagal
Colchicum filifolium
Collinsonia canadensis
Comptonia peregrina
Cotinus coggygria
Crinum jagus
Croton geayi
Cuscuta australis
Cymopterus terebinthinus
Dacrycarpus dacrydioides
Dalbergia nitidula
Dialium excelsum
Diplotropis ferruginea
Drymaria cordata
Dryopteris arguta
Drypetes tessmanniana
Echinacea simulata
Elettaria cardamomum
Eremurus chinensis
Erythrina subumbrans
Escontria chiotilla
Eucalyptus viminalis
Eucryphia cordifolia
Euphorbia hylonoma
Euphrasia regelii
Galium latoramosum
Garcinia gummi-gutta
Godmania aesculifolia
Gratiola officinalis
Hardenbergia violacea
Helichrysum kraussii
Helichrysum schimperi
Heliotropium marifolium
Helleborus niger subsp. macranthus
Hemionitis pteridioides
Hertia cheirifolia
Hippocrepis emerus
Hortonia angustifolia
Hoslundia opposita
Hypericum reptans
Julbernardia globiflora
Kaempferia parviflora
Kalanchoe integra
Kniphofia foliosa
Kopsia lapidilecta
Laggera crispata
Lepechinia urbanii
Licaria chrysophylla
Lindelofia anchusoides subsp. macrostyla
Lonchocarpus chiricanus
Lychnophora markgravii
Lychnophora pohlii
Lychnophora staavioides
Maclura cochinchinensis
Medicosma fareana
Melaleuca cuticularis
Melaleuca rugulosa
Mentha longifolia subsp. longifolia
Mentzelia decapetala
Miliusa balansae
Mimosa pigra
Mimusops laurifolia
Mucuna holtonii
Muntingia calabura
Myrrhis odorata
Neolitsea villosa
Nicoteba betonica
Nuxia sphaerocephala
Oncosiphon sabulosus
Ormosia hosiei
Ornithoglossum viride
Oroxylum indicum
Ostrya carpinifolia
Othonna macrophylla
Pachygone dasycarpa
Pelargonium crispum
Pentachondra pumila
Petasites radiatus
Petunia axillaris
Phagnalon rupestre
Phlomoides ostrowskiana
Phlox paniculata
Picea abies
Piliostigma thonningii
Pimpinella peregrina
Pinus aristata
Pinus armandii
Pinus monticola
Pinus morrisonicola
Pinus wallichiana
Piper aduncum
Piper falconeri
Piper sylvaticum
Plenckia populnea
Pongamia pinnata
Pongamia pinnata var. pinnata
Populus deltoides
Populus laurifolia
Populus nigra
Prunus avium
Prunus cerasus
Pterocaulon serrulatum
Pulsatilla chinensis
Quercus marilandica
Rubia argyi
Rubus laciniatus
Salix petiolaris
Salix rosmarinifolia
Salvia lanigera
Salvia lavanduloides
Salvia officinalis subsp. lavandulifolia
Salvia patens
Salvia pisidica
Salvia virgata
Saposhnikovia divaricata
Saussurea salicifolia
Schizanthus tricolor
Scutellaria baicalensis
Solanum crinitum
Sphaeranthus confertifolius
Stephania dielsiana
Strychnos amazonica
Tubocapsicum anomalum
Uncaria africana
Uncaria longiflora
Ursinia speciosa
Uvaria lucida
Uvaria rufa
Vachellia pennatula
Vangueria agrestis
Vepris gabonensis
Viguiera pinnatilobata

Cross-Links

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PubChem 5281954
NPASS NPC127447
ChEMBL CHEMBL164841
LOTUS LTS0143250
wikiData Q3516969