(5beta)-13-Isopropylpodocarpa-8,11,13-triene

Details

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Internal ID b1b52ac2-d416-4035-bc77-95e3c4fa2e5a
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Diterpenoids
IUPAC Name (4aS,10aR)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene
SMILES (Canonical) CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C)C
SMILES (Isomeric) CC(C)C1=CC2=C(C=C1)[C@]3(CCCC([C@H]3CC2)(C)C)C
InChI InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m1/s1
InChI Key QUUCYKKMFLJLFS-UYAOXDASSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H30
Molecular Weight 270.50 g/mol
Exact Mass 270.234750957 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 7.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (5beta)-13-Isopropylpodocarpa-8,11,13-triene

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 98.41% 91.11%
CHEMBL253 P34972 Cannabinoid CB2 receptor 95.17% 97.25%
CHEMBL3192 Q9BY41 Histone deacetylase 8 94.87% 93.99%
CHEMBL2581 P07339 Cathepsin D 93.03% 98.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 91.74% 94.45%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.15% 96.09%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 90.57% 93.40%
CHEMBL5608 Q16288 NT-3 growth factor receptor 89.64% 95.89%
CHEMBL226 P30542 Adenosine A1 receptor 89.44% 95.93%
CHEMBL5203 P33316 dUTP pyrophosphatase 87.44% 99.18%
CHEMBL1994 P08235 Mineralocorticoid receptor 86.47% 100.00%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 86.18% 90.71%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.00% 95.56%
CHEMBL3137262 O60341 LSD1/CoREST complex 84.99% 97.09%
CHEMBL2781 P19634 Sodium/hydrogen exchanger 1 84.42% 90.24%
CHEMBL4444 P04070 Vitamin K-dependent protein C 82.66% 93.89%
CHEMBL1937 Q92769 Histone deacetylase 2 81.94% 94.75%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 81.81% 96.38%
CHEMBL268 P43235 Cathepsin K 81.80% 96.85%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 81.72% 89.62%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 81.09% 91.03%
CHEMBL3359 P21462 Formyl peptide receptor 1 80.91% 93.56%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 80.05% 82.69%

Cross-Links

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PubChem 15558805
NPASS NPC118177
LOTUS LTS0197190
wikiData Q105228435