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Farformolide B

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 8132c319-2c77-4334-98bd-bd6493eaf98f
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Terpene lactones
IUPAC Name (4S,4aS,5S,8aS,9aS)-8a-hydroxy-4,9a-dimethoxy-3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C17H26O5/c1-10-7-6-8-16(19)9-17(21-5)12(11(2)14(18)22-17)13(20-4)15(10,16)3/h10,13,19H,6-9H2,1-5H3/t10-,13+,15-,16-,17-/m0/s1
InChI Key YXGXDLSSHQUMKC-ROBJAKRVSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C17H26O5
Molecular Weight 310.40 g/mol
Exact Mass 310.17802393 g/mol
Topological Polar Surface Area (TPSA) 65.00 Ų
XlogP 1.40

Synonyms

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69618-93-5
(4S,4aS,5S,8aS,9aS)-8a-hydroxy-4,9a-dimethoxy-3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one
DTXSID30219885
Naphtho(2,3-b)furan-2(4H)-one, 4a,5,6,7,8,8a,9,9a-octahydro-8a-hydroxy-4,9a-dimethoxy-3,4a,5-trimethyl-, (4S,4aS,5S,8aS,9aS)-

2D Structure

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2D Structure of Farformolide B

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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.41% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.90% 91.11%
CHEMBL1937 Q92769 Histone deacetylase 2 91.77% 94.75%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 88.88% 99.23%
CHEMBL253 P34972 Cannabinoid CB2 receptor 88.41% 97.25%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 87.13% 93.03%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 84.31% 97.14%
CHEMBL3137262 O60341 LSD1/CoREST complex 84.11% 97.09%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.15% 95.89%
CHEMBL241 Q14432 Phosphodiesterase 3A 82.77% 92.94%
CHEMBL1871 P10275 Androgen Receptor 82.43% 96.43%
CHEMBL1293249 Q13887 Kruppel-like factor 5 81.99% 86.33%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 80.60% 94.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 80.10% 89.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 80.01% 96.09%

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.
Farfugium japonicum
Ligularia sagitta

Cross-Links

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PubChem 155319
LOTUS LTS0113612
wikiData Q83096911