4-Hydroxysarcocapnine (supplier named)

Details

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Internal ID 799d93f1-4dd3-4f95-89a0-17954d4ac193
Taxonomy Alkaloids and derivatives > Cularin alkaloids and derivatives
IUPAC Name (13R)-4,5,17-trimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,14(18),15-hexaen-13-ol
SMILES (Canonical) CN1CC(C2=C3C1CC4=C(C(=C(C=C4)OC)OC)OC3=C(C=C2)OC)O
SMILES (Isomeric) CN1C[C@@H](C2=C3C1CC4=C(C(=C(C=C4)OC)OC)OC3=C(C=C2)OC)O
InChI InChI=1S/C20H23NO5/c1-21-10-14(22)12-6-8-15(23-2)19-17(12)13(21)9-11-5-7-16(24-3)20(25-4)18(11)26-19/h5-8,13-14,22H,9-10H2,1-4H3/t13?,14-/m0/s1
InChI Key ITVKPOQYPPYHQA-KZUDCZAMSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H23NO5
Molecular Weight 357.40 g/mol
Exact Mass 357.15762283 g/mol
Topological Polar Surface Area (TPSA) 60.40 Ų
XlogP 2.20

Synonyms

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4-Hydroxysarcocapnine (supplier named)
4-Hydroxysarcocapnine
NSC-607981

2D Structure

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2D Structure of 4-Hydroxysarcocapnine (supplier named)

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 99.13% 96.09%
CHEMBL217 P14416 Dopamine D2 receptor 93.92% 95.62%
CHEMBL4040 P28482 MAP kinase ERK2 88.17% 83.82%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.11% 86.33%
CHEMBL2581 P07339 Cathepsin D 86.71% 98.95%
CHEMBL5608 Q16288 NT-3 growth factor receptor 86.38% 95.89%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 86.25% 94.00%
CHEMBL3359 P21462 Formyl peptide receptor 1 85.41% 93.56%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 85.28% 89.62%
CHEMBL3060 Q9Y345 Glycine transporter 2 83.48% 99.17%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.78% 95.56%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 80.86% 95.89%
CHEMBL3192 Q9BY41 Histone deacetylase 8 80.46% 93.99%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 80.19% 90.71%

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.
Sarcocapnos enneaphylla

Cross-Links

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PubChem 11969653
LOTUS LTS0185154
wikiData Q104251709