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Calphostin D

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 c20ef7d9-24c1-47fa-8637-71f509ee84c7
Taxonomy Benzenoids > Perylenequinones
IUPAC Name 4,9-dihydroxy-6,7-bis(2-hydroxypropyl)-1,5,8,12-tetramethoxyperylene-3,10-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C30H30O10/c1-11(31)7-13-19-20-14(8-12(2)32)30(40-6)28(36)22-16(34)10-18(38-4)24(26(20)22)23-17(37-3)9-15(33)21(25(19)23)27(35)29(13)39-5/h9-12,31-32,35-36H,7-8H2,1-6H3
InChI Key WJBHEYCJMSCKIP-UHFFFAOYSA-N
Popularity 10 references in papers

Physical and Chemical Properties

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Molecular Formula C30H30O10
Molecular Weight 550.60 g/mol
Exact Mass 550.18389715 g/mol
Topological Polar Surface Area (TPSA) 152.00 Ų
XlogP 4.20

Synonyms

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Calphostin D
124986-26-1
4,9-dihydroxy-6,7-bis(2-hydroxypropyl)-1,5,8,12-tetramethoxyperylene-3,10-dione
4,9-dihydroxy-6,7-bis[(2r)-2-hydroxypropyl]-1,5,8,12-tetramethoxyperylene-3,10-dione
NSC629720
Ucn 1028 D
SCHEMBL13121634
DTXSID00924979
WJBHEYCJMSCKIP-UHFFFAOYSA-N
4,9-Dihydroxy-6,7-bis(2-hydroxypropyl)-1,5,8,12-tetramethoxy-3,10-perylenedione
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Calphostin 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
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 96.98% 85.14%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.88% 91.11%
CHEMBL2581 P07339 Cathepsin D 95.85% 98.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 92.77% 94.45%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.46% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.05% 95.56%
CHEMBL1255126 O15151 Protein Mdm4 87.93% 90.20%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 87.45% 94.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 87.13% 99.15%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.68% 99.17%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.04% 86.33%
CHEMBL2535 P11166 Glucose transporter 84.96% 98.75%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 84.84% 89.34%
CHEMBL4040 P28482 MAP kinase ERK2 83.57% 83.82%
CHEMBL4208 P20618 Proteasome component C5 83.01% 90.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 80.76% 89.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 80.65% 96.00%

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.
There are no matching plants.

Cross-Links

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PubChem 130305
LOTUS LTS0073033
wikiData Q77501897