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Cochinchinenene C

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 e0957d9f-966c-407e-a69a-3177631f2e61
Taxonomy Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids
IUPAC Name 4-[3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]-3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C31H30O6/c1-36-29-18-26(34)15-9-22(29)10-16-28(21-7-13-25(33)14-8-21)31-23(17-27(35)19-30(31)37-2)6-3-20-4-11-24(32)12-5-20/h3-9,11-15,17-19,28,32-35H,10,16H2,1-2H3/b6-3+
InChI Key BADBXHHJFGZPSY-ZZXKWVIFSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C31H30O6
Molecular Weight 498.60 g/mol
Exact Mass 498.20423867 g/mol
Topological Polar Surface Area (TPSA) 99.40 Ų
XlogP 6.90

Synonyms

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4-(3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)propyl)-3-((E)-2-(4-hydroxyphenyl)ethenyl)-5-methoxyphenol
4-[3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]-3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol
RefChem:127305
956103-73-4
CHEMBL254439
BDBM50222762
1-[2-(3-methoxy-4,5-dihydroxystilbenyl)]-1-(4-hydroxyphenyl)-3-(2-methoxy-4-hydroxyphenyl)propane

2D Structure

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2D Structure of Cochinchinenene C

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
CHEMBL204 P00734 Thrombin 26700 nM
 IC50
 PMID: 19496609

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.47% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.42% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 96.83% 86.33%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 96.83% 96.00%
CHEMBL242 Q92731 Estrogen receptor beta 95.69% 98.35%
CHEMBL3194 P02766 Transthyretin 93.34% 90.71%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 92.96% 89.62%
CHEMBL3060 Q9Y345 Glycine transporter 2 91.76% 99.17%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.32% 95.56%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 90.00% 95.89%
CHEMBL2581 P07339 Cathepsin D 89.91% 98.95%
CHEMBL2535 P11166 Glucose transporter 86.61% 98.75%
CHEMBL1255126 O15151 Protein Mdm4 85.49% 90.20%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 84.96% 95.50%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 84.74% 91.71%
CHEMBL3192 Q9BY41 Histone deacetylase 8 84.35% 93.99%
CHEMBL4208 P20618 Proteasome component C5 82.50% 90.00%
CHEMBL5939 Q9NZ08 Endoplasmic reticulum aminopeptidase 1 81.81% 100.00%
CHEMBL1966 Q02127 Dihydroorotate dehydrogenase 81.00% 96.09%

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.
Dracaena cochinchinensis

Cross-Links

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PubChem 23655741
NPASS NPC471518
ChEMBL CHEMBL254439
LOTUS LTS0197702
wikiData Q104922106