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Microlobidene

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 d58312a1-b158-4f81-a96e-170076f8b8dd
Taxonomy Phenylpropanoids and polyketides > Coumarins and derivatives
IUPAC Name 7-[[(1S,2S,6S,8aS)-6-hydroxy-1,2,5,5-tetramethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]methoxy]chromen-2-one
SMILES (Canonical) CC1CC=C2C(C1(C)COC3=CC4=C(C=C3)C=CC(=O)O4)CCC(C2(C)C)O
SMILES (Isomeric) C[C@H]1CC=C2[C@@H]([C@@]1(C)COC3=CC4=C(C=C3)C=CC(=O)O4)CC[C@@H](C2(C)C)O
InChI InChI=1S/C24H30O4/c1-15-5-9-18-19(10-11-21(25)23(18,2)3)24(15,4)14-27-17-8-6-16-7-12-22(26)28-20(16)13-17/h6-9,12-13,15,19,21,25H,5,10-11,14H2,1-4H3/t15-,19-,21-,24-/m0/s1
InChI Key LTXNTWWWHIQHCN-ORFALQEDSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C24H30O4
Molecular Weight 382.50 g/mol
Exact Mass 382.21440943 g/mol
Topological Polar Surface Area (TPSA) 55.80 Ų
XlogP 4.80

Synonyms

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CHEMBL270298

2D Structure

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2D Structure of Microlobidene

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 98.70% 91.11%
CHEMBL3137262 O60341 LSD1/CoREST complex 94.57% 97.09%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.47% 96.09%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 94.22% 94.00%
CHEMBL2581 P07339 Cathepsin D 93.87% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 89.19% 99.17%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.35% 86.33%
CHEMBL4208 P20618 Proteasome component C5 87.82% 90.00%
CHEMBL3492 P49721 Proteasome Macropain subunit 86.97% 90.24%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.79% 95.56%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 86.46% 96.95%
CHEMBL3713062 P10646 Tissue factor pathway inhibitor 85.09% 97.33%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.97% 95.89%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 83.46% 90.71%

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.
There are no matching plants.

Cross-Links

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PubChem 44457257
LOTUS LTS0042389
wikiData Q105157260