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Hebelodendrol

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 a84f5619-8fed-4058-b31d-05c96540e465
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Aromadendrane sesquiterpenoids > 5,10-cycloaromadendrane sesquiterpenoids
IUPAC Name (1aR,4R,4aR,5S,6R,7S,7aR,7bS)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene-4,5,6-triol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H26O3/c1-7-9-10-8(14(10,2)3)5-6-15(4,18)11(9)13(17)12(7)16/h7-13,16-18H,5-6H2,1-4H3/t7-,8+,9-,10+,11+,12+,13-,15+/m0/s1
InChI Key UDDLTLHHAFTXOM-CYIQDBDSSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C15H26O3
Molecular Weight 254.36 g/mol
Exact Mass 254.18819469 g/mol
Topological Polar Surface Area (TPSA) 60.70 Ų
XlogP 1.60

Synonyms

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(1aR,4R,4aR,5S,6R,7S,7aR,7bS)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene-4,5,6-triol
(1aR,4R,4aR,5S,6R,7S,7aR,7bS)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa(e)azulene-4,5,6-triol
RefChem:145402
259657-37-9
CHEBI:206032

2D Structure

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2D Structure of Hebelodendrol

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.04% 96.09%
CHEMBL226 P30542 Adenosine A1 receptor 90.88% 95.93%
CHEMBL253 P34972 Cannabinoid CB2 receptor 90.77% 97.25%
CHEMBL4681 P42330 Aldo-keto-reductase family 1 member C3 90.17% 89.05%
CHEMBL1994 P08235 Mineralocorticoid receptor 89.66% 100.00%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 89.26% 96.77%
CHEMBL221 P23219 Cyclooxygenase-1 88.88% 90.17%
CHEMBL1871 P10275 Androgen Receptor 86.98% 96.43%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 86.11% 82.69%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 83.48% 91.03%
CHEMBL241 Q14432 Phosphodiesterase 3A 82.22% 92.94%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 82.13% 95.50%
CHEMBL259 P32245 Melanocortin receptor 4 82.07% 95.38%
CHEMBL218 P21554 Cannabinoid CB1 receptor 81.35% 96.61%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 80.59% 93.03%
CHEMBL204 P00734 Thrombin 80.53% 96.01%

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.
There are no matching plants.

Cross-Links

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PubChem 15484649
LOTUS LTS0096525
wikiData Q77514584