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Podolide

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID 83e38e1f-64fc-4619-a8f3-2bae63025b2d
Taxonomy Organoheterocyclic compounds > Naphthopyrans
IUPAC Name (1S,2R,4R,5R,10S,14S,17R)-10,14-dimethyl-5-propan-2-yl-3,6,16-trioxapentacyclo[8.6.1.02,4.04,9.014,17]heptadeca-8,12-diene-7,15-dione
SMILES (Canonical) CC(C)C1C23C(O2)C4C5C(C3=CC(=O)O1)(CC=CC5(C(=O)O4)C)C
SMILES (Isomeric) CC(C)[C@@H]1[C@]23[C@H](O2)[C@@H]4[C@@H]5[C@@](C3=CC(=O)O1)(CC=C[C@@]5(C(=O)O4)C)C
InChI InChI=1S/C19H22O5/c1-9(2)14-19-10(8-11(20)22-14)17(3)6-5-7-18(4)13(17)12(15(19)24-19)23-16(18)21/h5,7-9,12-15H,6H2,1-4H3/t12-,13+,14+,15+,17+,18-,19+/m0/s1
InChI Key NGMZHPQMBVXJMC-DXNUVPBBSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C19H22O5
Molecular Weight 330.40 g/mol
Exact Mass 330.14672380 g/mol
Topological Polar Surface Area (TPSA) 65.10 Ų
XlogP 2.30

Synonyms

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55786-36-2
CHEBI:8279
(1S,2R,4R,5R,10S,14S,17R)-10,14-dimethyl-5-propan-2-yl-3,6,16-trioxapentacyclo[8.6.1.02,4.04,9.014,17]heptadeca-8,12-diene-7,15-dione
CHEMBL465652
Podolactone B, 1,2-deepoxy-2,3-didehydro-3,15,16-trideoxy-
C09173
NSC 238978
Q27108037

2D Structure

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2D Structure of Podolide

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
CHEMBL253 P34972 Cannabinoid CB2 receptor 93.77% 97.25%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 90.01% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.48% 95.56%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 88.05% 96.38%
CHEMBL218 P21554 Cannabinoid CB1 receptor 86.40% 96.61%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.00% 94.45%
CHEMBL2581 P07339 Cathepsin D 85.76% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 84.62% 96.09%
CHEMBL3137262 O60341 LSD1/CoREST complex 84.03% 97.09%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 83.58% 96.77%
CHEMBL1994 P08235 Mineralocorticoid receptor 83.56% 100.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.45% 95.89%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.37% 89.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 82.57% 99.23%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 81.45% 97.14%
CHEMBL2996 Q05655 Protein kinase C delta 81.03% 97.79%
CHEMBL1907605 P24864 Cyclin-dependent kinase 2/cyclin E1 80.40% 92.88%
CHEMBL4051 P13569 Cystic fibrosis transmembrane conductance regulator 80.34% 95.71%

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.
Afrocarpus gracilior

Cross-Links

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PubChem 99535
LOTUS LTS0083150
wikiData Q27108037