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Maoyancaosu

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID a6a5d2ea-b21b-4d5f-bc88-e8c82d598018
Taxonomy Phenylpropanoids and polyketides > Coumarins and derivatives > p-Dioxolo[2,3-g]coumarins
IUPAC Name 2-[(3,4-dihydroxyphenyl)-hydroxymethyl]-2,3-dihydropyrano[2,3-g][1,4]benzodioxin-7-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C18H14O7/c19-11-3-1-10(5-12(11)20)18(22)16-8-23-14-7-13-9(6-15(14)24-16)2-4-17(21)25-13/h1-7,16,18-20,22H,8H2
InChI Key ZHXRTJYHLGJEEE-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C18H14O7
Molecular Weight 342.30 g/mol
Exact Mass 342.07395278 g/mol
Topological Polar Surface Area (TPSA) 105.00 Ų
XlogP 1.80

Synonyms

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72165-29-8
2-((3,4-Dihydroxyphenyl)hydroxymethyl)-2,3-dihydro-7H-pyrano(2,3-g)-1,4-benzodioxin-7-one
2-[(3,4-dihydroxyphenyl)-hydroxymethyl]-2,3-dihydropyrano[2,3-g][1,4]benzodioxin-7-one
2-((3,4-dihydroxyphenyl)-hydroxymethyl)-2,3-dihydropyrano(2,3-g)(1,4)benzodioxin-7-one
RefChem:155750
DTXSID00992890
2-[(3,4-Dihydroxyphenyl)(hydroxy)methyl]-2,3-dihydro-7H-pyrano[2,3-g][1,4]benzodioxin-7-one
7H-Pyrano(2,3-g)-1,4-benzodioxin-7-one, 2-((3,4-dihydroxyphenyl)hydroxymethyl)-2,3-dihydro-

2D Structure

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2D Structure of Maoyancaosu

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 98.98% 91.11%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 92.19% 93.40%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 90.37% 99.23%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 89.77% 99.15%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 88.95% 94.45%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 88.83% 90.71%
CHEMBL2553 Q15418 Ribosomal protein S6 kinase alpha 1 88.09% 85.11%
CHEMBL1806 P11388 DNA topoisomerase II alpha 85.80% 89.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.53% 95.56%
CHEMBL2581 P07339 Cathepsin D 84.56% 98.95%
CHEMBL4208 P20618 Proteasome component C5 82.46% 90.00%
CHEMBL1937 Q92769 Histone deacetylase 2 82.19% 94.75%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 81.83% 85.14%
CHEMBL3038469 P24941 CDK2/Cyclin A 80.96% 91.38%
CHEMBL3137262 O60341 LSD1/CoREST complex 80.63% 97.09%

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.
There are no matching plants.

Cross-Links

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PubChem 174952
LOTUS LTS0216840
wikiData Q82983374