Catathelasmol A

Details

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Internal ID 73019e30-6ba4-4c93-8647-a4ffed21498d
Taxonomy Organoheterocyclic compounds > Oxolanes
IUPAC Name (2R)-2-(hydroxymethyl)oxolan-2-ol
SMILES (Canonical) C1CC(OC1)(CO)O
SMILES (Isomeric) C1C[C@@](OC1)(CO)O
InChI InChI=1S/C5H10O3/c6-4-5(7)2-1-3-8-5/h6-7H,1-4H2/t5-/m1/s1
InChI Key VZKIEJBXBMKQCK-RXMQYKEDSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C5H10O3
Molecular Weight 118.13 g/mol
Exact Mass 118.062994177 g/mol
Topological Polar Surface Area (TPSA) 49.70 Ų
XlogP -0.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Catathelasmol A

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 94.39% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.07% 96.09%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 85.32% 95.50%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.21% 94.45%
CHEMBL299 P17252 Protein kinase C alpha 82.39% 98.03%
CHEMBL5888 Q99558 Mitogen-activated protein kinase kinase kinase 14 81.26% 100.00%
CHEMBL4040 P28482 MAP kinase ERK2 81.05% 83.82%

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 44131220
LOTUS LTS0097484
wikiData Q77499354