1,7,11-Trimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-5,10-dien-7-ol

Details

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Internal ID 73184e62-e76b-400a-b32d-cf81653b6c22
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name 1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-5,10-dien-7-ol
SMILES (Canonical) CC1=CCCC(C=CC(CCC2(C(O2)CC1)C)C(C)C)(C)O
SMILES (Isomeric) CC1=CCCC(C=CC(CCC2(C(O2)CC1)C)C(C)C)(C)O
InChI InChI=1S/C20H34O2/c1-15(2)17-10-13-19(4,21)12-6-7-16(3)8-9-18-20(5,22-18)14-11-17/h7,10,13,15,17-18,21H,6,8-9,11-12,14H2,1-5H3
InChI Key BSKNIQVPQSFUSP-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H34O2
Molecular Weight 306.50 g/mol
Exact Mass 306.255880323 g/mol
Topological Polar Surface Area (TPSA) 32.80 Ų
XlogP 4.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 1,7,11-Trimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-5,10-dien-7-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
CHEMBL253 P34972 Cannabinoid CB2 receptor 97.15% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.43% 96.09%
CHEMBL218 P21554 Cannabinoid CB1 receptor 92.82% 96.61%
CHEMBL5608 Q16288 NT-3 growth factor receptor 88.70% 95.89%
CHEMBL1806 P11388 DNA topoisomerase II alpha 86.35% 89.00%
CHEMBL2581 P07339 Cathepsin D 86.28% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.63% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 85.34% 91.11%
CHEMBL3192 Q9BY41 Histone deacetylase 8 85.01% 93.99%
CHEMBL1994 P08235 Mineralocorticoid receptor 84.95% 100.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 84.21% 97.09%
CHEMBL4208 P20618 Proteasome component C5 83.68% 90.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.45% 94.45%
CHEMBL3359 P21462 Formyl peptide receptor 1 81.58% 93.56%
CHEMBL1951 P21397 Monoamine oxidase A 81.52% 91.49%
CHEMBL4072 P07858 Cathepsin B 80.91% 93.67%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 80.44% 100.00%

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.
Fritillaria thunbergii
Garcinia gummi-gutta
Pinus sibirica

Cross-Links

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PubChem 72727937
LOTUS LTS0114573
wikiData Q105300627