(3Z,5R)-3-[(4E,8S)-8-hydroxy-4,8-dimethyldeca-4,9-dienylidene]-5-(2-methylprop-1-enyl)oxolan-2-one

Details

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Internal ID 210e5892-f105-4a8d-85d7-99e71d906c4d
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones
IUPAC Name (3Z,5R)-3-[(4E,8S)-8-hydroxy-4,8-dimethyldeca-4,9-dienylidene]-5-(2-methylprop-1-enyl)oxolan-2-one
SMILES (Canonical) CC(=CC1CC(=CCCC(=CCCC(C)(C=C)O)C)C(=O)O1)C
SMILES (Isomeric) CC(=C[C@H]1C/C(=C/CC/C(=C/CC[C@@](C)(C=C)O)/C)/C(=O)O1)C
InChI InChI=1S/C20H30O3/c1-6-20(5,22)12-8-10-16(4)9-7-11-17-14-18(13-15(2)3)23-19(17)21/h6,10-11,13,18,22H,1,7-9,12,14H2,2-5H3/b16-10+,17-11-/t18-,20+/m0/s1
InChI Key PWVATQFEMUUBJD-XNVVNHSCSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H30O3
Molecular Weight 318.40 g/mol
Exact Mass 318.21949481 g/mol
Topological Polar Surface Area (TPSA) 46.50 Ų
XlogP 4.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (3Z,5R)-3-[(4E,8S)-8-hydroxy-4,8-dimethyldeca-4,9-dienylidene]-5-(2-methylprop-1-enyl)oxolan-2-one

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 93.17% 98.95%
CHEMBL3401 O75469 Pregnane X receptor 92.32% 94.73%
CHEMBL253 P34972 Cannabinoid CB2 receptor 92.18% 97.25%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.91% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.57% 95.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 85.30% 89.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.27% 99.23%
CHEMBL1902 P62942 FK506-binding protein 1A 83.89% 97.05%
CHEMBL3060 Q9Y345 Glycine transporter 2 82.72% 99.17%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 82.66% 89.34%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 82.47% 96.47%
CHEMBL3137262 O60341 LSD1/CoREST complex 82.26% 97.09%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 81.16% 93.03%
CHEMBL5966 P55899 IgG receptor FcRn large subunit p51 80.97% 90.93%
CHEMBL1293249 Q13887 Kruppel-like factor 5 80.16% 86.33%

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.
Porella navicularis

Cross-Links

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PubChem 163029671
LOTUS LTS0076819
wikiData Q105216009