Atroviridin

Details

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Internal ID 847d9b1a-3b0b-4215-8fc0-1458618dd4b8
Taxonomy Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > Pyranoxanthones
IUPAC Name 5,8,12-trihydroxy-2,2-dimethylpyrano[3,2-b]xanthen-6-one
SMILES (Canonical) CC1(C=CC2=C(C3=C(C(=C2O1)O)OC4=C(C3=O)C=C(C=C4)O)O)C
SMILES (Isomeric) CC1(C=CC2=C(C3=C(C(=C2O1)O)OC4=C(C3=O)C=C(C=C4)O)O)C
InChI InChI=1S/C18H14O6/c1-18(2)6-5-9-13(20)12-14(21)10-7-8(19)3-4-11(10)23-17(12)15(22)16(9)24-18/h3-7,19-20,22H,1-2H3
InChI Key LPOCFPIHJNBUIN-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C18H14O6
Molecular Weight 326.30 g/mol
Exact Mass 326.07903816 g/mol
Topological Polar Surface Area (TPSA) 96.20 Ų
XlogP 3.40

Synonyms

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5,8,12-trihydroxy-2,2-dimethylpyrano[3,2-b]xanthen-6-one
CHEMBL4218812
CHEBI:174366
5,8,12-trihydroxy-2,2-dimethyl-2,6-dihydro-1,11-dioxatetracen-6-one

2D Structure

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2D Structure of Atroviridin

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 99.43% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 98.13% 94.45%
CHEMBL1806 P11388 DNA topoisomerase II alpha 95.31% 89.00%
CHEMBL2581 P07339 Cathepsin D 95.16% 98.95%
CHEMBL1951 P21397 Monoamine oxidase A 93.89% 91.49%
CHEMBL5966 P55899 IgG receptor FcRn large subunit p51 92.62% 90.93%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 91.21% 99.23%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.46% 95.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 90.19% 94.00%
CHEMBL3401 O75469 Pregnane X receptor 86.32% 94.73%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 84.28% 90.71%
CHEMBL2535 P11166 Glucose transporter 82.16% 98.75%
CHEMBL1293249 Q13887 Kruppel-like factor 5 80.67% 86.33%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 80.12% 93.10%

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.
Garcinia atroviridis
Garcinia xanthochymus

Cross-Links

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PubChem 11267348
LOTUS LTS0248897
wikiData Q105155287