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Lucidumol 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 2011e1dd-fcf2-4cf1-80a5-7e7fb5a9fd1c
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Triterpenoids
IUPAC Name (3S,6R)-6-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptane-2,3-diol
SMILES (Canonical) CC(CCC(C(C)(C)O)O)C1CCC2(C1(CC=C3C2=CCC4C3(CCC(C4(C)C)O)C)C)C
SMILES (Isomeric) C[C@H](CC[C@@H](C(C)(C)O)O)[C@H]1CC[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C
InChI InChI=1S/C30H50O3/c1-19(9-12-25(32)27(4,5)33)20-13-17-30(8)22-10-11-23-26(2,3)24(31)15-16-28(23,6)21(22)14-18-29(20,30)7/h10,14,19-20,23-25,31-33H,9,11-13,15-18H2,1-8H3/t19-,20-,23+,24+,25+,28-,29-,30+/m1/s1
InChI Key BLTRPNNWBNKAEH-LCWRUPSGSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C30H50O3
Molecular Weight 458.70 g/mol
Exact Mass 458.37599545 g/mol
Topological Polar Surface Area (TPSA) 60.70 Ų
XlogP 6.10

Synonyms

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107900-79-8
Lanost-7,9(11)-diene-3,24,25-triol-, (3beta,24S)-
CHEMBL1915762
(3S,6R)-6-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptane-2,3-diol
DTXSID00910579
CHEBI:191781
BDBM50356921
AKOS040752406
Lanosta-7,9(11)-diene-3,24,25-triol
Lanosta-7,9(11)-diene-3,24,25-triol, (3beta,24S)-
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Lucidumol 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
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL253 P34972 Cannabinoid CB2 receptor 99.14% 97.25%
CHEMBL2581 P07339 Cathepsin D 96.84% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.26% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.74% 91.11%
CHEMBL2996 Q05655 Protein kinase C delta 91.63% 97.79%
CHEMBL3137262 O60341 LSD1/CoREST complex 88.75% 97.09%
CHEMBL218 P21554 Cannabinoid CB1 receptor 88.68% 96.61%
CHEMBL3359 P21462 Formyl peptide receptor 1 87.77% 93.56%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 87.29% 94.45%
CHEMBL2094135 Q96BI3 Gamma-secretase 86.23% 98.05%
CHEMBL1994 P08235 Mineralocorticoid receptor 85.52% 100.00%
CHEMBL4227 P25090 Lipoxin A4 receptor 85.49% 100.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.66% 95.89%
CHEMBL2781 P19634 Sodium/hydrogen exchanger 1 81.77% 90.24%
CHEMBL226 P30542 Adenosine A1 receptor 81.30% 95.93%
CHEMBL1977 P11473 Vitamin D receptor 80.63% 99.43%
CHEMBL1907 P15144 Aminopeptidase N 80.30% 93.31%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 475411
LOTUS LTS0080978
wikiData Q82880478