(-)-Cyatha-3,12-diene

Details

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Internal ID fd655900-f35b-434e-8dc9-774b5147dca4
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Diterpenoids
IUPAC Name (3aS,5aS,10aS)-3a,5a,8-trimethyl-1-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrocyclohepta[e]indene
SMILES (Canonical) CC1=CCC2(CCC3(CCC(=C3C2CC1)C(C)C)C)C
SMILES (Isomeric) CC1=CC[C@@]2(CC[C@]3(CCC(=C3[C@H]2CC1)C(C)C)C)C
InChI InChI=1S/C20H32/c1-14(2)16-9-11-20(5)13-12-19(4)10-8-15(3)6-7-17(19)18(16)20/h8,14,17H,6-7,9-13H2,1-5H3/t17-,19-,20-/m1/s1
InChI Key HYUVPCPBEOBIGN-MISYRCLQSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H32
Molecular Weight 272.50 g/mol
Exact Mass 272.250401021 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 5.70

Synonyms

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CHEBI:193155

2D Structure

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2D Structure of (-)-Cyatha-3,12-diene

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 96.11% 97.25%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.70% 91.11%
CHEMBL3359 P21462 Formyl peptide receptor 1 87.45% 93.56%
CHEMBL3137262 O60341 LSD1/CoREST complex 87.01% 97.09%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 85.78% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 85.18% 94.45%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.05% 95.89%
CHEMBL2581 P07339 Cathepsin D 84.45% 98.95%
CHEMBL1994 P08235 Mineralocorticoid receptor 83.55% 100.00%
CHEMBL221 P23219 Cyclooxygenase-1 81.34% 90.17%

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 15519950
LOTUS LTS0124277
wikiData Q75067993