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Peniciversiol C

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 01a65a66-ddb9-4f2b-ab20-4db4cb757697
Taxonomy Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones
IUPAC Name (4aS,8R,9S,10R,10aS,10bR)-9,10-dihydroxy-4a,8,10b-trimethyl-2,3,8,9,10,10a-hexahydrobenzo[f]chromen-1-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H22O4/c1-9-8-10-4-6-15(2)16(3,11(17)5-7-20-15)12(10)14(19)13(9)18/h4,6,8-9,12-14,18-19H,5,7H2,1-3H3/t9-,12-,13+,14-,15+,16-/m1/s1
InChI Key OIHNLYQDQZSUTR-HIMXQRAGSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C16H22O4
Molecular Weight 278.34 g/mol
Exact Mass 278.15180918 g/mol
Topological Polar Surface Area (TPSA) 66.80 Ų
XlogP 0.10

Synonyms

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(4aS,8R,9S,10R,10aS,10bR)-9,10-dihydroxy-4a,8,10b-trimethyl-2,3,8,9,10,10a-hexahydrobenzo(f)chromen-1-one
(4aS,8R,9S,10R,10aS,10bR)-9,10-dihydroxy-4a,8,10b-trimethyl-2,3,8,9,10,10a-hexahydrobenzo[f]chromen-1-one
RefChem:171063
CHEBI:209242
(4aS,8R,9S,10R,10aS,10bR)-9,10-dihydroxy-4a,8,10b-trimethyl-2,3,8,9,10,10a-hexahydrobenzo[]chromen-1-one

2D Structure

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2D Structure of Peniciversiol C

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
CHEMBL4040 P28482 MAP kinase ERK2 99.18% 83.82%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 97.69% 85.14%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.71% 91.11%
CHEMBL2581 P07339 Cathepsin D 91.94% 98.95%
CHEMBL1994 P08235 Mineralocorticoid receptor 89.35% 100.00%
CHEMBL253 P34972 Cannabinoid CB2 receptor 88.01% 97.25%
CHEMBL1937 Q92769 Histone deacetylase 2 87.70% 94.75%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.42% 96.09%
CHEMBL1806 P11388 DNA topoisomerase II alpha 86.93% 89.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.55% 95.56%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 85.49% 99.23%
CHEMBL1293249 Q13887 Kruppel-like factor 5 82.88% 86.33%
CHEMBL3137262 O60341 LSD1/CoREST complex 81.45% 97.09%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 80.39% 93.04%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 80.04% 90.71%

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 146683118
LOTUS LTS0074159
wikiData Q105192511