Radarin D

Details

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Internal ID 7ed81822-465d-4fec-982e-680248554646
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Colensane and clerodane diterpenoids
IUPAC Name (1R,2S,4aS,4bR,7R,8S,8aR,10aS)-8-(1H-indol-3-ylmethyl)-1,4b,7,8,10a-pentamethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthren-2-ol
SMILES (Canonical) CC1CCC2(C3CCC(C(C3(CCC2C1(C)CC4=CNC5=CC=CC=C54)C)C)O)C
SMILES (Isomeric) C[C@@H]1CC[C@]2([C@@H]3CC[C@@H]([C@@H]([C@]3(CC[C@@H]2[C@@]1(C)CC4=CNC5=CC=CC=C54)C)C)O)C
InChI InChI=1S/C28H41NO/c1-18-12-14-27(4)24-11-10-23(30)19(2)26(24,3)15-13-25(27)28(18,5)16-20-17-29-22-9-7-6-8-21(20)22/h6-9,17-19,23-25,29-30H,10-16H2,1-5H3/t18-,19+,23+,24-,25+,26-,27+,28+/m1/s1
InChI Key AOYNVKNXGQEQEA-MEZXNFOZSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C28H41NO
Molecular Weight 407.60 g/mol
Exact Mass 407.318814931 g/mol
Topological Polar Surface Area (TPSA) 36.00 Ų
XlogP 8.00

Synonyms

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SCHEMBL9595870

2D Structure

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2D Structure of Radarin D

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 99.03% 91.11%
CHEMBL3310 Q96DB2 Histone deacetylase 11 93.95% 88.56%
CHEMBL1937 Q92769 Histone deacetylase 2 93.39% 94.75%
CHEMBL3137262 O60341 LSD1/CoREST complex 92.61% 97.09%
CHEMBL3192 Q9BY41 Histone deacetylase 8 92.55% 93.99%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.34% 96.09%
CHEMBL253 P34972 Cannabinoid CB2 receptor 91.81% 97.25%
CHEMBL2581 P07339 Cathepsin D 91.43% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.32% 95.56%
CHEMBL2996 Q05655 Protein kinase C delta 88.69% 97.79%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 88.37% 94.62%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 88.34% 92.62%
CHEMBL1914 P06276 Butyrylcholinesterase 88.21% 95.00%
CHEMBL3155 P34969 Serotonin 7 (5-HT7) receptor 86.61% 90.71%
CHEMBL5103 Q969S8 Histone deacetylase 10 86.49% 90.08%
CHEMBL325 Q13547 Histone deacetylase 1 86.20% 95.92%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.68% 95.89%
CHEMBL2693 Q9UIQ6 Cystinyl aminopeptidase 84.32% 97.64%
CHEMBL4145 Q9UKV0 Histone deacetylase 9 83.21% 85.49%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 82.65% 82.69%
CHEMBL1806 P11388 DNA topoisomerase II alpha 82.54% 89.00%
CHEMBL2959 Q08881 Tyrosine-protein kinase ITK/TSK 81.74% 95.00%
CHEMBL5028 O14672 ADAM10 81.10% 97.50%
CHEMBL5805 Q9NR97 Toll-like receptor 8 80.42% 96.25%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 21610068
LOTUS LTS0075851
wikiData Q75055198