Pimara-8(14),15-diene

Details

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Internal ID 8f486424-11c8-436a-9838-614b91220aad
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Diterpenoids
IUPAC Name (4aS,4bS,7S,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene
SMILES (Canonical) CC1(CCCC2(C1CCC3=CC(CCC32)(C)C=C)C)C
SMILES (Isomeric) C[C@]1(CC[C@H]2C(=C1)CC[C@@H]3[C@@]2(CCCC3(C)C)C)C=C
InChI InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,14,16-17H,1,7-13H2,2-5H3/t16-,17-,19+,20+/m0/s1
InChI Key XDSYKASBVOZOAG-RAUXBKROSA-N
Popularity 75 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 7.00

Synonyms

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Pimara-8(14),15-diene
1686-61-9
8(14),15-sandaracopimaradiene
[4aS-(4aalpha,4bbeta,7beta,10abeta)]-7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,1,4a,7-tetramethylphenanthrene
C06086
CHEBI:8210
DTXSID701319108
(4aS,4bS,7S,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene
13-Vinyl-16,17-dinorabieta-8(14)-ene
Q27107957

2D Structure

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2D Structure of Pimara-8(14),15-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 95.94% 97.25%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.19% 91.11%
CHEMBL1977 P11473 Vitamin D receptor 88.48% 99.43%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 87.79% 82.69%
CHEMBL5608 Q16288 NT-3 growth factor receptor 87.23% 95.89%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.16% 96.09%
CHEMBL1994 P08235 Mineralocorticoid receptor 86.05% 100.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 85.88% 97.09%
CHEMBL1951 P21397 Monoamine oxidase A 85.45% 91.49%
CHEMBL5203 P33316 dUTP pyrophosphatase 85.35% 99.18%
CHEMBL1937 Q92769 Histone deacetylase 2 85.06% 94.75%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 82.31% 93.40%

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.
Cinnamomum sieboldii
Cistus creticus
Picea orientalis
Pinus densiflora
Pinus nigra subsp. pallasiana
Prumnopitys andina
Prumnopitys ferruginoides
Thujopsis dolabrata

Cross-Links

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PubChem 440909
LOTUS LTS0071599
wikiData Q27107957