(S)-2,3-Dihydro-5,7-dihydroxy-6-methyl-2-phenyl-4-benzopyrone

Details

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Internal ID 35bd40a8-d406-4a30-b2b6-1abcb6a8eb56
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavanones
IUPAC Name 5,7-dihydroxy-6-methyl-2-phenyl-2,3-dihydrochromen-4-one
SMILES (Canonical) CC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=CC=C3)O
SMILES (Isomeric) CC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=CC=C3)O
InChI InChI=1S/C16H14O4/c1-9-11(17)7-14-15(16(9)19)12(18)8-13(20-14)10-5-3-2-4-6-10/h2-7,13,17,19H,8H2,1H3
InChI Key INBPQAJYHSJVRY-UHFFFAOYSA-N
Popularity 9 references in papers

Physical and Chemical Properties

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Molecular Formula C16H14O4
Molecular Weight 270.28 g/mol
Exact Mass 270.08920892 g/mol
Topological Polar Surface Area (TPSA) 66.80 Ų
XlogP 3.10

Synonyms

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11023-71-5
5,7-dihydroxy-6-methyl-2-phenyl-2,3-dihydrochromen-4-one
CHEMBL1556958
5,7-DIHYDROXY-6-METHYLFLAVANONE
EINECS 234-254-0
MLS000876950
cid_114429
MEGxp0_000550
SCHEMBL4740199
ACon1_000727
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of (S)-2,3-Dihydro-5,7-dihydroxy-6-methyl-2-phenyl-4-benzopyrone

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 98.31% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.36% 95.56%
CHEMBL2581 P07339 Cathepsin D 95.37% 98.95%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 92.67% 99.23%
CHEMBL1806 P11388 DNA topoisomerase II alpha 90.08% 89.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.49% 86.33%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 85.44% 85.14%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 84.56% 99.15%
CHEMBL2553 Q15418 Ribosomal protein S6 kinase alpha 1 83.88% 85.11%
CHEMBL3401 O75469 Pregnane X receptor 83.20% 94.73%

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.
Alnus sieboldiana
Bauhinia purpurea
Pinus bungeana
Pinus krempfii
Pinus lambertiana
Pinus monticola
Piper hostmannianum
Pseudotsuga sinensis var. sinensis
Syzygium samarangense

Cross-Links

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PubChem 114429
LOTUS LTS0075777
wikiData Q82881695