trans-Dracunculifoliol

Details

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Internal ID 1b73139a-6967-43cb-a82d-5bed581c264a
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name 1-[(1S)-3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-1-yl]-2-methylpropan-1-ol
SMILES (Canonical) CC(C)C(C1CCC2(C1C(=C)CCC2)C)O
SMILES (Isomeric) CC(C)C([C@H]1CCC2(C1C(=C)CCC2)C)O
InChI InChI=1S/C15H26O/c1-10(2)14(16)12-7-9-15(4)8-5-6-11(3)13(12)15/h10,12-14,16H,3,5-9H2,1-2,4H3/t12-,13?,14?,15?/m0/s1
InChI Key HKWKGGMAKOLVEY-NAOUJUTFSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H26O
Molecular Weight 222.37 g/mol
Exact Mass 222.198365449 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 4.20

Synonyms

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HKWKGGMAKOLVEY-NAOUJUTFSA-N

2D Structure

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2D Structure of trans-Dracunculifoliol

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 97.75% 97.25%
CHEMBL1937 Q92769 Histone deacetylase 2 92.26% 94.75%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.01% 96.09%
CHEMBL237 P41145 Kappa opioid receptor 89.80% 98.10%
CHEMBL2581 P07339 Cathepsin D 89.60% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.45% 91.11%
CHEMBL3137262 O60341 LSD1/CoREST complex 88.34% 97.09%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 85.82% 96.38%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.27% 94.45%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.08% 95.89%
CHEMBL1994 P08235 Mineralocorticoid receptor 82.38% 100.00%
CHEMBL3359 P21462 Formyl peptide receptor 1 81.55% 93.56%
CHEMBL4227 P25090 Lipoxin A4 receptor 80.99% 100.00%
CHEMBL1977 P11473 Vitamin D receptor 80.97% 99.43%
CHEMBL221 P23219 Cyclooxygenase-1 80.81% 90.17%

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.
Baccharis dracunculifolia

Cross-Links

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PubChem 6428328
LOTUS LTS0124248
wikiData Q104375469