6alpha-Hydroxymedicarpin

Details

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Internal ID 126e6490-02b6-4fae-af63-3239096f6e74
Taxonomy Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans
IUPAC Name (6aS,11aS)-9-methoxy-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a-diol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H14O5/c1-19-10-3-5-12-14(7-10)21-15-11-4-2-9(17)6-13(11)20-8-16(12,15)18/h2-7,15,17-18H,8H2,1H3/t15-,16+/m0/s1
InChI Key SXKBOSYKWYQHMV-JKSUJKDBSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C16H14O5
Molecular Weight 286.28 g/mol
Exact Mass 286.08412354 g/mol
Topological Polar Surface Area (TPSA) 68.20 Ų
XlogP 1.50

Synonyms

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61135-92-0
(6aS,11aS)-9-Methoxy-6H-benzofuro[3,2-c][1]benzopyran-3,6a(11aH)-diol
3-Hydroxymedicarpin
Hydroxymedicarpin, 6alpha-
M6CMW54A38
DTXSID801157149
HY-N2700
AKOS040761225
FS-8620
CS-0023154
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 6alpha-Hydroxymedicarpin

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 98.61% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.62% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 93.94% 94.45%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 92.17% 99.15%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.86% 86.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.40% 95.56%
CHEMBL3137262 O60341 LSD1/CoREST complex 90.28% 97.09%
CHEMBL5608 Q16288 NT-3 growth factor receptor 89.35% 95.89%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 89.08% 94.00%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 87.74% 94.80%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 86.91% 95.89%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 85.07% 93.40%
CHEMBL2535 P11166 Glucose transporter 84.28% 98.75%
CHEMBL4681 P42330 Aldo-keto-reductase family 1 member C3 83.71% 89.05%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 82.62% 100.00%
CHEMBL4208 P20618 Proteasome component C5 82.62% 90.00%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 82.54% 92.62%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 82.24% 99.23%
CHEMBL2581 P07339 Cathepsin D 80.60% 98.95%
CHEMBL1821 P08173 Muscarinic acetylcholine receptor M4 80.52% 94.08%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 101606975
LOTUS LTS0218171
wikiData Q105263167