Damirone B

Details

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Internal ID 2960fbdc-3817-4f90-9d21-362115a5fb50
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Pyrroloquinolines > Pyrrolo[4,3,2-de]quinolines
IUPAC Name 7-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8-triene-10,11-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C11H10N2O2/c1-13-3-2-6-5-12-10-9(6)7(13)4-8(14)11(10)15/h4-5,12H,2-3H2,1H3
InChI Key JYLGJUYDUWMFOL-UHFFFAOYSA-N
Popularity 6 references in papers

Physical and Chemical Properties

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Molecular Formula C11H10N2O2
Molecular Weight 202.21 g/mol
Exact Mass 202.074227566 g/mol
Topological Polar Surface Area (TPSA) 53.20 Ų
XlogP 0.50

Synonyms

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138683-67-7
5-Methyl-4,5-dihydropyrrolo[4,3,2-de]quinoline-7,8(1H,3H)-dione
Pyrrolo[4,3,2-de]quinoline-7,8-dione, 1,3,4,5-tetrahydro-5-methyl- (9CI)
7-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8-triene-10,11-dione
CHEMBL462951
SCHEMBL9263961
JYLGJUYDUWMFOL-UHFFFAOYSA-
DTXSID40930190
5-methyl-1,3,4,5-tetrahydropyrrolo[4,3,2-de]quinoline-7,8-dione
NSC700004
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Damirone B

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 96.56% 98.95%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 94.80% 93.40%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.17% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.64% 95.56%
CHEMBL255 P29275 Adenosine A2b receptor 89.79% 98.59%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 88.17% 96.67%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 87.00% 93.03%
CHEMBL3192 Q9BY41 Histone deacetylase 8 86.28% 93.99%
CHEMBL4208 P20618 Proteasome component C5 86.07% 90.00%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 84.29% 93.04%
CHEMBL1806 P11388 DNA topoisomerase II alpha 82.94% 89.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 81.61% 94.00%
CHEMBL217 P14416 Dopamine D2 receptor 81.42% 95.62%
CHEMBL3746 P80365 11-beta-hydroxysteroid dehydrogenase 2 80.99% 94.78%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 80.07% 99.23%

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.
There are no matching plants.

Cross-Links

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PubChem 2947
LOTUS LTS0128933
wikiData Q82905432