tanzawaic acid A

Details

Top
Internal ID 3b4e8995-105b-4975-8a92-163a1231444a
Taxonomy Benzenoids > Tetralins
IUPAC Name (2E,4E)-5-[(6S,8R)-2,6,8-trimethyl-5,6,7,8-tetrahydronaphthalen-1-yl]penta-2,4-dienoic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C18H22O2/c1-12-10-14(3)18-15(11-12)9-8-13(2)16(18)6-4-5-7-17(19)20/h4-9,12,14H,10-11H2,1-3H3,(H,19,20)/b6-4+,7-5+/t12-,14+/m0/s1
InChI Key GCHCATJQYLAKIS-UFSSINQASA-N
Popularity 8 references in papers

Physical and Chemical Properties

Top
Molecular Formula C18H22O2
Molecular Weight 270.40 g/mol
Exact Mass 270.161979940 g/mol
Topological Polar Surface Area (TPSA) 37.30 Ų
XlogP 4.80

Synonyms

Top
CHEMBL3353035
BDBM50036280
(2E,4E)-5-[(6S,8R)-2,6,8-trimethyl-5,6,7,8-tetrahydronaphthalen-1-yl]penta-2,4-dienoic Acid

2D Structure

Top
2D Structure of tanzawaic acid A

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.57% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.01% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.53% 86.33%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 88.40% 89.62%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 87.16% 96.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 85.87% 97.09%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 84.78% 93.03%
CHEMBL2581 P07339 Cathepsin D 83.03% 98.95%
CHEMBL3401 O75469 Pregnane X receptor 81.41% 94.73%
CHEMBL217 P14416 Dopamine D2 receptor 81.29% 95.62%
CHEMBL5028 O14672 ADAM10 80.42% 97.50%

Plants that contains it

Top
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

Top
PubChem 9970370
LOTUS LTS0084988
wikiData Q77500072