2,2,4,9-Tetramethyl-6-oxatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-3-ol

Details

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Internal ID 64b3298b-32be-408b-90a5-ccebc1afd2eb
Taxonomy Organoheterocyclic compounds > Benzopyrans > 2-benzopyrans
IUPAC Name 2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-3-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H20O2/c1-9-5-6-11-12-10(9)7-17-8-15(12,4)13(16)14(11,2)3/h5-6,13,16H,7-8H2,1-4H3
InChI Key IRCNNWGKFMKOGI-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H20O2
Molecular Weight 232.32 g/mol
Exact Mass 232.146329876 g/mol
Topological Polar Surface Area (TPSA) 29.50 Ų
XlogP 2.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2,2,4,9-Tetramethyl-6-oxatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-3-ol

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 94.56% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.10% 96.09%
CHEMBL1994 P08235 Mineralocorticoid receptor 87.76% 100.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.13% 95.56%
CHEMBL3137262 O60341 LSD1/CoREST complex 86.53% 97.09%
CHEMBL2581 P07339 Cathepsin D 86.22% 98.95%
CHEMBL1951 P21397 Monoamine oxidase A 84.34% 91.49%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.43% 95.89%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 81.92% 93.40%
CHEMBL3492 P49721 Proteasome Macropain subunit 80.47% 90.24%

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 72833291
LOTUS LTS0071839
wikiData Q104169032