Pyrano[2,3-b]carbazol-8-ol, 2,10-dihydro-2,2,7-trimethyl-

Details

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Internal ID 37844513-aa08-457f-b372-a423e1969063
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Carbazoles
IUPAC Name 2,2,7-trimethyl-10H-pyrano[2,3-b]carbazol-8-ol
SMILES (Canonical) CC1=CC2=C(C=C1O)NC3=C2C=C4C=CC(OC4=C3)(C)C
SMILES (Isomeric) CC1=CC2=C(C=C1O)NC3=C2C=C4C=CC(OC4=C3)(C)C
InChI InChI=1S/C18H17NO2/c1-10-6-12-13-7-11-4-5-18(2,3)21-17(11)9-15(13)19-14(12)8-16(10)20/h4-9,19-20H,1-3H3
InChI Key RUQHCCGMEXXSBD-UHFFFAOYSA-N
Popularity 5 references in papers

Physical and Chemical Properties

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Molecular Formula C18H17NO2
Molecular Weight 279.30 g/mol
Exact Mass 279.125928785 g/mol
Topological Polar Surface Area (TPSA) 45.20 Ų
XlogP 4.30

Synonyms

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Pyrano[2,3-b]carbazol-8-ol, 2,10-dihydro-2,2,7-trimethyl-
NSC654283
CHEMBL495872
SCHEMBL30929789
DTXSID30327414
NSC-654283
NCI60_018847

2D Structure

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2D Structure of Pyrano[2,3-b]carbazol-8-ol, 2,10-dihydro-2,2,7-trimethyl-

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 98.68% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 96.63% 94.45%
CHEMBL1806 P11388 DNA topoisomerase II alpha 90.13% 89.00%
CHEMBL1951 P21397 Monoamine oxidase A 90.06% 91.49%
CHEMBL1937 Q92769 Histone deacetylase 2 89.67% 94.75%
CHEMBL241 Q14432 Phosphodiesterase 3A 88.41% 92.94%
CHEMBL3192 Q9BY41 Histone deacetylase 8 87.89% 93.99%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 86.87% 93.40%
CHEMBL4208 P20618 Proteasome component C5 84.69% 90.00%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 84.19% 91.71%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 83.22% 95.56%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 82.99% 91.79%
CHEMBL2581 P07339 Cathepsin D 82.16% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 82.10% 96.09%
CHEMBL3401 O75469 Pregnane X receptor 81.83% 94.73%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 81.30% 94.00%

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.
Bergera euchrestifolia

Cross-Links

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PubChem 375149
NPASS NPC291535
ChEMBL CHEMBL495872
LOTUS LTS0265583
wikiData Q82089207