(+)-Carnegine

Details

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Internal ID 2fece253-a65b-468a-9bce-dbfa6ce9a647
Taxonomy Organoheterocyclic compounds > Tetrahydroisoquinolines
IUPAC Name (1R)-6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline
SMILES (Canonical) CC1C2=CC(=C(C=C2CCN1C)OC)OC
SMILES (Isomeric) C[C@@H]1C2=CC(=C(C=C2CCN1C)OC)OC
InChI InChI=1S/C13H19NO2/c1-9-11-8-13(16-4)12(15-3)7-10(11)5-6-14(9)2/h7-9H,5-6H2,1-4H3/t9-/m1/s1
InChI Key HRSIPKSSEVRSPG-SECBINFHSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C13H19NO2
Molecular Weight 221.29 g/mol
Exact Mass 221.141578849 g/mol
Topological Polar Surface Area (TPSA) 21.70 Ų
XlogP 2.10

Synonyms

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Carnegine, (+)-
51745-28-9
(R)-(+)-Carnegine
8ODU99Y4XK
(R)-6,7-Dimethoxy-1,2-dimethyl-1,2,3,4-tetrahydroisoquinoline
Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1,2-dimethyl-, (1R)-
UNII-8ODU99Y4XK
CARNEGINE, (R)-
CHEMBL1192717
DTXSID00199680
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of (+)-Carnegine

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 98.33% 96.09%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 93.65% 93.40%
CHEMBL241 Q14432 Phosphodiesterase 3A 91.95% 92.94%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 91.75% 85.14%
CHEMBL253 P34972 Cannabinoid CB2 receptor 89.71% 97.25%
CHEMBL2056 P21728 Dopamine D1 receptor 89.51% 91.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 88.66% 93.99%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.78% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.21% 86.33%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 86.00% 100.00%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 85.50% 91.03%
CHEMBL4247 Q9UM73 ALK tyrosine kinase receptor 84.98% 96.86%
CHEMBL1163125 O60885 Bromodomain-containing protein 4 84.58% 97.31%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.52% 95.89%
CHEMBL2581 P07339 Cathepsin D 83.74% 98.95%
CHEMBL5747 Q92793 CREB-binding protein 83.08% 95.12%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 82.27% 89.62%
CHEMBL4208 P20618 Proteasome component C5 82.19% 90.00%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 82.08% 95.89%
CHEMBL2413 P32246 C-C chemokine receptor type 1 80.64% 89.50%

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.
Carnegiea gigantea
Echium humile subsp. pycnanthum
Nandina domestica

Cross-Links

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PubChem 821487
LOTUS LTS0199478
wikiData Q27270818