Tsaokoin

Details

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Internal ID 6abb2a51-854c-4309-8920-e97726dee3ef
Taxonomy Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Secondary alcohols
IUPAC Name (3aS,7S,7aR)-7-hydroxy-2,3,3a,6,7,7a-hexahydro-1H-indene-4-carbaldehyde
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C10H14O2/c11-6-7-4-5-10(12)9-3-1-2-8(7)9/h4,6,8-10,12H,1-3,5H2/t8-,9-,10+/m1/s1
InChI Key CBXWAUXGOHHAIT-BBBLOLIVSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C10H14O2
Molecular Weight 166.22 g/mol
Exact Mass 166.099379685 g/mol
Topological Polar Surface Area (TPSA) 37.30 Ų
XlogP 1.20

Synonyms

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RefChem:933603
343605-41-4
orb1991719
AKOS040735040

2D Structure

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2D Structure of Tsaokoin

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 90.92% 91.11%
CHEMBL3137262 O60341 LSD1/CoREST complex 88.76% 97.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.72% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.99% 96.09%
CHEMBL1994 P08235 Mineralocorticoid receptor 82.71% 100.00%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 80.55% 95.50%
CHEMBL2581 P07339 Cathepsin D 80.17% 98.95%
CHEMBL3359 P21462 Formyl peptide receptor 1 80.05% 93.56%

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.
Lanxangia tsaoko

Cross-Links

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PubChem 131147946
LOTUS LTS0214934
wikiData Q104952957