Clausine O

Details

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Internal ID b4342bf8-bf62-4611-9293-b8601a9b90a8
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Carbazoles
IUPAC Name 2,7-dihydroxy-9H-carbazole-3-carbaldehyde
SMILES (Canonical) C1=CC2=C(C=C1O)NC3=C2C=C(C(=C3)O)C=O
SMILES (Isomeric) C1=CC2=C(C=C1O)NC3=C2C=C(C(=C3)O)C=O
InChI InChI=1S/C13H9NO3/c15-6-7-3-10-9-2-1-8(16)4-11(9)14-12(10)5-13(7)17/h1-6,14,16-17H
InChI Key RTRVKTRUQDUIKV-UHFFFAOYSA-N
Popularity 5 references in papers

Physical and Chemical Properties

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Molecular Formula C13H9NO3
Molecular Weight 227.21 g/mol
Exact Mass 227.058243149 g/mol
Topological Polar Surface Area (TPSA) 73.30 Ų
XlogP 2.70

Synonyms

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2,7-dihydroxy-9H-carbazole-3-carbaldehyde
CHEBI:69936
CHEMBL1689804
9H-Carbazole-3-carboxaldehyde, 2,7-dihydroxy-
Q27138279

2D Structure

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2D Structure of Clausine O

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
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 98.04% 98.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 97.96% 94.45%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.42% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.17% 95.56%
CHEMBL1951 P21397 Monoamine oxidase A 95.76% 91.49%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 90.43% 91.71%
CHEMBL3194 P02766 Transthyretin 89.53% 90.71%
CHEMBL2292 Q13627 Dual-specificity tyrosine-phosphorylation regulated kinase 1A 88.08% 93.24%
CHEMBL242 Q92731 Estrogen receptor beta 88.06% 98.35%
CHEMBL4208 P20618 Proteasome component C5 87.68% 90.00%
CHEMBL2535 P11166 Glucose transporter 86.99% 98.75%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 86.08% 93.40%
CHEMBL2581 P07339 Cathepsin D 85.76% 98.95%
CHEMBL1781 P11387 DNA topoisomerase I 83.47% 97.00%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 82.73% 94.62%
CHEMBL1806 P11388 DNA topoisomerase II alpha 82.13% 89.00%
CHEMBL1937 Q92769 Histone deacetylase 2 80.30% 94.75%

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.
Clausena anisata
Clausena excavata
Clausena harmandiana

Cross-Links

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PubChem 11241634
NPASS NPC86834
ChEMBL CHEMBL1689804
LOTUS LTS0065704
wikiData Q27138279