15,16-Dihydroxy-4,5,5,9,10,10-hexamethyl-3,8,13-trioxapentacyclo[10.8.0.02,6.07,11.014,19]icosa-1(12),2(6),7(11),14(19),15,17-hexaen-20-one

Details

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Internal ID 04ffd8ba-50c2-4ab3-ab41-b6aee37df48a
Taxonomy Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones
IUPAC Name 15,16-dihydroxy-4,5,5,9,10,10-hexamethyl-3,8,13-trioxapentacyclo[10.8.0.02,6.07,11.014,19]icosa-1(12),2(6),7(11),14(19),15,17-hexaen-20-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C23H24O6/c1-9-22(3,4)14-19(27-9)13-16(25)11-7-8-12(24)17(26)18(11)29-20(13)15-21(14)28-10(2)23(15,5)6/h7-10,24,26H,1-6H3
InChI Key YOOLRLCJQJIYEG-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C23H24O6
Molecular Weight 396.40 g/mol
Exact Mass 396.15728848 g/mol
Topological Polar Surface Area (TPSA) 85.20 Ų
XlogP 4.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 15,16-Dihydroxy-4,5,5,9,10,10-hexamethyl-3,8,13-trioxapentacyclo[10.8.0.02,6.07,11.014,19]icosa-1(12),2(6),7(11),14(19),15,17-hexaen-20-one

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 98.79% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 95.39% 91.49%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.29% 95.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 94.02% 89.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 93.52% 99.23%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 93.19% 94.45%
CHEMBL3192 Q9BY41 Histone deacetylase 8 91.43% 93.99%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 90.50% 94.00%
CHEMBL1937 Q92769 Histone deacetylase 2 90.14% 94.75%
CHEMBL4224 P49759 Dual specificty protein kinase CLK1 89.37% 85.30%
CHEMBL2581 P07339 Cathepsin D 88.56% 98.95%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 84.92% 99.15%
CHEMBL5103 Q969S8 Histone deacetylase 10 83.14% 90.08%
CHEMBL2553 Q15418 Ribosomal protein S6 kinase alpha 1 80.19% 85.11%

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 gardneriana
Garcinia macrophylla

Cross-Links

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PubChem 71440418
LOTUS LTS0090399
wikiData Q104395623