4,10-Dimethylidene-7-(propan-2-yl)cyclodec-5-en-1-ol

Details

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Internal ID fff76338-c979-4357-8785-e12ff4ff1dd7
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Germacrane sesquiterpenoids
IUPAC Name 4,10-dimethylidene-7-propan-2-ylcyclodec-5-en-1-ol
SMILES (Canonical) CC(C)C1CCC(=C)C(CCC(=C)C=C1)O
SMILES (Isomeric) CC(C)C1CCC(=C)C(CCC(=C)C=C1)O
InChI InChI=1S/C15H24O/c1-11(2)14-8-5-12(3)6-10-15(16)13(4)7-9-14/h5,8,11,14-16H,3-4,6-7,9-10H2,1-2H3
InChI Key OSSWBZXPRYZGRO-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H24O
Molecular Weight 220.35 g/mol
Exact Mass 220.182715385 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 3.70

Synonyms

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4(15),5,10(14)-Germacratrien-1-ol
4,10-Dimethylidene-7-(propan-2-yl)cyclodec-5-en-1-ol
65882-79-3
ent-Germacra-4(15),5,10(14)-trien-1beta-ol
(5Z,7S)-4,10-dimethylidene-7-propan-2-ylcyclodec-5-en-1-ol
DTXSID40793040

2D Structure

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2D Structure of 4,10-Dimethylidene-7-(propan-2-yl)cyclodec-5-en-1-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 86.81% 91.11%
CHEMBL3359 P21462 Formyl peptide receptor 1 86.12% 93.56%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 85.22% 95.89%
CHEMBL2581 P07339 Cathepsin D 83.65% 98.95%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.92% 95.89%
CHEMBL1994 P08235 Mineralocorticoid receptor 82.74% 100.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 82.57% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.00% 94.45%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.52% 90.71%
CHEMBL3137262 O60341 LSD1/CoREST complex 80.72% 97.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 80.72% 95.56%
CHEMBL253 P34972 Cannabinoid CB2 receptor 80.34% 97.25%

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.
Achillea nobilis
Baccharis dracunculifolia
Duhaldea cuspidata
Garcinia scortechinii
Jackiella javanica
Mikania pohlii
Neoorthocaulis floerkei
Pappobolus stuebelii
Piper kadsura
Pseudogynoxys chenopodioides
Solidago altissima
Torilis japonica

Cross-Links

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PubChem 71370041
LOTUS LTS0149321
wikiData Q82762158