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Cochinchinenene B

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 36cc787c-81c5-401a-b306-aafd2a1897d4
Taxonomy Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids
IUPAC Name 2-[3-(4-hydroxy-2-methoxyphenyl)-1-(4-methoxyphenyl)propyl]-3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C32H32O6/c1-36-27-15-9-22(10-16-27)29(17-11-23-8-14-26(34)19-31(23)38-3)32-24(18-28(37-2)20-30(32)35)7-4-21-5-12-25(33)13-6-21/h4-10,12-16,18-20,29,33-35H,11,17H2,1-3H3/b7-4+
InChI Key XZVDYCHPJWUZFS-QPJJXVBHSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C32H32O6
Molecular Weight 512.60 g/mol
Exact Mass 512.21988874 g/mol
Topological Polar Surface Area (TPSA) 88.40 Ų
XlogP 7.30

Synonyms

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2-(3-(4-hydroxy-2-methoxyphenyl)-1-(4-methoxyphenyl)propyl)-3-((E)-2-(4-hydroxyphenyl)ethenyl)-5-methoxyphenol
2-[3-(4-hydroxy-2-methoxyphenyl)-1-(4-methoxyphenyl)propyl]-3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol
RefChem:127304
956103-72-3
CHEMBL399481
BDBM50222765
1-[2-(5-methoxy-3,4-dihydroxystilbenyl)]-1-(4-methoxyphenyl)-3-(2-methoxy-4-hydroxyphenyl)propane

2D Structure

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2D Structure of Cochinchinenene B

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 17800 nM
 IC50
 PMID: 24571273

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.83% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.57% 96.09%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 96.96% 96.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 96.49% 86.33%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 95.60% 99.15%
CHEMBL242 Q92731 Estrogen receptor beta 94.64% 98.35%
CHEMBL3192 Q9BY41 Histone deacetylase 8 94.24% 93.99%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.68% 95.56%
CHEMBL3060 Q9Y345 Glycine transporter 2 92.43% 99.17%
CHEMBL4208 P20618 Proteasome component C5 92.42% 90.00%
CHEMBL3194 P02766 Transthyretin 92.01% 90.71%
CHEMBL1966 Q02127 Dihydroorotate dehydrogenase 90.61% 96.09%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 90.27% 95.89%
CHEMBL2535 P11166 Glucose transporter 90.21% 98.75%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 89.12% 91.71%
CHEMBL2581 P07339 Cathepsin D 88.28% 98.95%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 87.06% 89.62%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 86.76% 95.50%
CHEMBL1907 P15144 Aminopeptidase N 86.07% 93.31%

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 23655936
NPASS NPC473309
ChEMBL CHEMBL399481
LOTUS LTS0008644
wikiData Q105345195