Ramalinolic acid

Details

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Internal ID 0e22a07d-303c-4db5-9db8-5df79e4c0f56
Taxonomy Phenylpropanoids and polyketides > Depsides and depsidones
IUPAC Name 2,4-dihydroxy-3-(2-hydroxy-4-methoxy-6-propylbenzoyl)oxy-6-pentylbenzoic acid
SMILES (Canonical) CCCCCC1=CC(=C(C(=C1C(=O)O)O)OC(=O)C2=C(C=C(C=C2O)OC)CCC)O
SMILES (Isomeric) CCCCCC1=CC(=C(C(=C1C(=O)O)O)OC(=O)C2=C(C=C(C=C2O)OC)CCC)O
InChI InChI=1S/C23H28O8/c1-4-6-7-9-14-11-17(25)21(20(26)19(14)22(27)28)31-23(29)18-13(8-5-2)10-15(30-3)12-16(18)24/h10-12,24-26H,4-9H2,1-3H3,(H,27,28)
InChI Key OBTGVDPYKOUXDZ-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C23H28O8
Molecular Weight 432.50 g/mol
Exact Mass 432.17841785 g/mol
Topological Polar Surface Area (TPSA) 134.00 Ų
XlogP 6.60

Synonyms

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Ramalinolic acid
2,4-Dihydroxy-3-[(2-hydroxy-4-methoxy-6-propylbenzoyl)oxy]-6-pentylbenzoic acid
DTXSID401135632

2D Structure

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2D Structure of Ramalinolic 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
CHEMBL2581 P07339 Cathepsin D 96.49% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.47% 91.11%
CHEMBL3060 Q9Y345 Glycine transporter 2 95.43% 99.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.08% 96.09%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 91.95% 95.17%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.42% 86.33%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 89.16% 92.08%
CHEMBL3401 O75469 Pregnane X receptor 86.62% 94.73%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 85.98% 96.95%
CHEMBL3194 P02766 Transthyretin 85.96% 90.71%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.23% 94.45%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 83.46% 91.71%
CHEMBL1966 Q02127 Dihydroorotate dehydrogenase 82.93% 96.09%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 82.75% 94.42%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 82.00% 95.50%
CHEMBL4208 P20618 Proteasome component C5 81.30% 90.00%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 80.92% 90.71%

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 12314881
LOTUS LTS0143569
wikiData Q77373812