Asiachromenic acid

Details

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Internal ID 7a9ec2d0-f224-4bbe-9803-f9fdaed871fa
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Diterpenoids
IUPAC Name 2-(12-carboxy-4,8-dimethyltrideca-3,7,11-trienyl)-2-methylchromene-6-carboxylic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C27H34O5/c1-19(10-6-12-21(3)25(28)29)8-5-9-20(2)11-7-16-27(4)17-15-22-18-23(26(30)31)13-14-24(22)32-27/h8,11-15,17-18H,5-7,9-10,16H2,1-4H3,(H,28,29)(H,30,31)
InChI Key MACAIIRJCAQXTM-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C27H34O5
Molecular Weight 438.60 g/mol
Exact Mass 438.24062418 g/mol
Topological Polar Surface Area (TPSA) 83.80 Ų
XlogP 6.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Asiachromenic acid

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 97.24% 91.11%
CHEMBL3401 O75469 Pregnane X receptor 94.19% 94.73%
CHEMBL1293294 P51151 Ras-related protein Rab-9A 93.36% 87.67%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.72% 86.33%
CHEMBL3060 Q9Y345 Glycine transporter 2 92.24% 99.17%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 91.02% 94.80%
CHEMBL4208 P20618 Proteasome component C5 90.73% 90.00%
CHEMBL2581 P07339 Cathepsin D 89.26% 98.95%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 88.93% 92.08%
CHEMBL1806 P11388 DNA topoisomerase II alpha 88.67% 89.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.63% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 85.59% 96.09%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 82.95% 96.00%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 82.11% 93.00%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 145721032
LOTUS LTS0222187
wikiData Q104171498