germacrene C

Details

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Internal ID acc0153e-06b0-4478-94d8-c5352c43b135
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Germacrane sesquiterpenoids
IUPAC Name (1E,3E,7E)-1,7-dimethyl-4-propan-2-ylcyclodeca-1,3,7-triene
SMILES (Canonical) CC1=CCCC(=CC=C(CC1)C(C)C)C
SMILES (Isomeric) C/C/1=C\CC/C(=C/C=C(\CC1)/C(C)C)/C
InChI InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9,11-12H,5,7-8,10H2,1-4H3/b13-6+,14-9+,15-11+
InChI Key WYGLLWYGQRUNLF-XZCMGSLHSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C15H24
Molecular Weight 204.35 g/mol
Exact Mass 204.187800766 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 4.10

Synonyms

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Germacren C
(1E,3E,7E)-4-isopropyl-1,7-dimethylcyclodeca-1,3,7-triene
CHEBI:61478
WYGLLWYGQRUNLF-VUSWODRPSA-N
WYGLLWYGQRUNLF-XZCMGSLHSA-N
DTXSID401317927
C19747
Q27131101
(1E,3E,7E)-1,7-dimethyl-4-propan-2-ylcyclodeca-1,3,7-triene

2D Structure

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2D Structure of germacrene 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
CHEMBL2581 P07339 Cathepsin D 87.07% 98.95%
CHEMBL3401 O75469 Pregnane X receptor 87.00% 94.73%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 86.23% 93.40%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 84.78% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.31% 95.56%
CHEMBL253 P34972 Cannabinoid CB2 receptor 81.66% 97.25%
CHEMBL3359 P21462 Formyl peptide receptor 1 81.44% 93.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 80.94% 91.11%
CHEMBL2885 P07451 Carbonic anhydrase III 80.00% 87.45%

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.
Acanthospermum australe
Alisma plantago-aquatica subsp. orientale
Croton nepetifolius
Curio talinoides
Flourensia heterolepis
Hyptis suaveolens
Lasiolaena morii
Silphium perfoliatum
Solidago nemoralis

Cross-Links

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PubChem 25244915
LOTUS LTS0161450
wikiData Q27131101