Sterigmatin

Details

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Internal ID 6f4bf885-3e04-413d-aa50-953630bb6445
Taxonomy Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones
IUPAC Name (4S,8R)-2,18-dihydroxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14,16,18-heptaen-20-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C17H10O6/c18-8-2-1-3-9-13(8)16(20)14-11(22-9)6-10-12(15(14)19)7-4-5-21-17(7)23-10/h1-7,17-19H/t7-,17+/m0/s1
InChI Key CWYJYLXZMAUSNI-BWKAKNAASA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C17H10O6
Molecular Weight 310.26 g/mol
Exact Mass 310.04773803 g/mol
Topological Polar Surface Area (TPSA) 85.20 Ų
XlogP 3.00

Synonyms

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55256-49-0
4'-Deoxyaustocystin F
UNII-L7O1C3DOEB
L7O1C3DOEB
CCRIS 3231
BRN 1404086
(4S,8R)-2,18-dihydroxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14,16,18-heptaen-20-one
5H-Furo(3',2':4,5)furo(3,2-b)xanthen-5-one, 3a,12a-dihydro-4,6-dihydroxy-, (3aS-cis)-
(3aS-cis)-3a,12a-Dihydro-4,6-dihydroxy-5H-furo(3',2':4,5)furo(3,2-b)xanthen-5-one
5H-FURO(3',2':4,5)FURO(3,2-B)XANTHEN-5-ONE, 3A,12A-DIHYDRO-4,6-DIHYDROXY-, (3AS,12AR)-
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Sterigmatin

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 96.84% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.94% 95.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 93.44% 89.00%
CHEMBL3401 O75469 Pregnane X receptor 90.55% 94.73%
CHEMBL2581 P07339 Cathepsin D 90.04% 98.95%
CHEMBL4040 P28482 MAP kinase ERK2 89.54% 83.82%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 88.68% 99.23%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 85.72% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.32% 86.33%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 82.85% 99.15%
CHEMBL3830 Q2M2I8 Adaptor-associated kinase 80.99% 83.10%
CHEMBL1951 P21397 Monoamine oxidase A 80.95% 91.49%
CHEMBL3194 P02766 Transthyretin 80.27% 90.71%

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 15553180
LOTUS LTS0080735
wikiData Q27282815