ent-Isopimara-8(14),15-diene-3beta-ol

Details

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Internal ID e30a2483-7c63-4d5b-908d-20649dac6c37
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Diterpenoids
IUPAC Name 7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-2-ol
SMILES (Canonical) CC1(C2CCC3=CC(CCC3C2(CCC1O)C)(C)C=C)C
SMILES (Isomeric) CC1(C2CCC3=CC(CCC3C2(CCC1O)C)(C)C=C)C
InChI InChI=1S/C20H32O/c1-6-19(4)11-9-15-14(13-19)7-8-16-18(2,3)17(21)10-12-20(15,16)5/h6,13,15-17,21H,1,7-12H2,2-5H3
InChI Key ATQOOBSXQVRQPY-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H32O
Molecular Weight 288.50 g/mol
Exact Mass 288.245315640 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 5.50

Synonyms

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Sandaracopimaradien-3.beta.-ol
ATQOOBSXQVRQPY-UHFFFAOYSA-N
Podocarp-8(14)-en-3.beta.-ol, 13.beta.-methyl-13-vinyl-
Pimara-8(14),15-dien-3-ol #
2-Phenanthrenol, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,1,4a,7-tetramethyl-, [2S-(2.alpha.,4a.alpha.,4b.beta.,7.beta.,10a.beta.)]-

2D Structure

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2D Structure of ent-Isopimara-8(14),15-diene-3beta-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 93.46% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.29% 96.09%
CHEMBL1977 P11473 Vitamin D receptor 89.44% 99.43%
CHEMBL221 P23219 Cyclooxygenase-1 88.39% 90.17%
CHEMBL1994 P08235 Mineralocorticoid receptor 87.37% 100.00%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 86.64% 82.69%
CHEMBL5608 Q16288 NT-3 growth factor receptor 86.45% 95.89%
CHEMBL3137262 O60341 LSD1/CoREST complex 85.48% 97.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.51% 94.45%

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.
Aldama arenaria
Cryptomeria japonica
Erythroxylum cuneatum
Pinus pumila
Pseudognaphalium gaudichaudianum
Sideritis canariensis
Xylia xylocarpa

Cross-Links

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PubChem 584511
LOTUS LTS0048503
wikiData Q104918611