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(-)-trans-Carveol glucoside

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID d6ec2a4f-027d-4bd3-b9d5-5771139e9ae7
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides
IUPAC Name (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]oxyoxane-3,4,5-triol
SMILES (Canonical) CC1=CCC(CC1OC2C(C(C(C(O2)CO)O)O)O)C(=C)C
SMILES (Isomeric) CC1=CC[C@H](C[C@@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=C)C
InChI InChI=1S/C16H26O6/c1-8(2)10-5-4-9(3)11(6-10)21-16-15(20)14(19)13(18)12(7-17)22-16/h4,10-20H,1,5-7H2,2-3H3/t10-,11+,12-,13-,14+,15-,16-/m1/s1
InChI Key IPOIBBMZOXJYFV-RMPHEQRESA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C16H26O6
Molecular Weight 314.37 g/mol
Exact Mass 314.17293854 g/mol
Topological Polar Surface Area (TPSA) 99.40 Ų
XlogP 0.50

Synonyms

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CHEBI:172544
DTXSID501145236
113349-30-7
(1S,5R)-2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-yl beta-D-glucopyranoside
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]oxyoxane-3,4,5-triol
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-{[(1S,5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-yl]oxy}oxane-3,4,5-triol

2D Structure

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2D Structure of (-)-trans-Carveol glucoside

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 96.59% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.86% 96.09%
CHEMBL3401 O75469 Pregnane X receptor 89.78% 94.73%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 87.75% 97.21%
CHEMBL253 P34972 Cannabinoid CB2 receptor 87.74% 97.25%
CHEMBL3137262 O60341 LSD1/CoREST complex 87.64% 97.09%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 87.52% 96.95%
CHEMBL2581 P07339 Cathepsin D 84.83% 98.95%
CHEMBL218 P21554 Cannabinoid CB1 receptor 81.15% 96.61%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.72% 99.17%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.49% 95.89%

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.
Mentha spicata

Cross-Links

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PubChem 10710378
LOTUS LTS0142445
wikiData Q76415919