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Rhodovibrin

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 e4d8491f-f02e-4cdf-949b-dab7dedb71fe
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Tetraterpenoids > Carotenoids > Xanthophylls
IUPAC Name (6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,8,10,12,14,16,18,20,22,24,26,28-dodecaen-2-ol
SMILES (Canonical) CC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CCC(C)(C)OC)C)C)CCCC(C)(C)O
SMILES (Isomeric) C/C(=C\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\C=C\CC(C)(C)OC)\C)\C)/CCCC(C)(C)O
InChI InChI=1S/C41H60O2/c1-34(22-14-24-36(3)26-16-28-38(5)30-18-32-40(7,8)42)20-12-13-21-35(2)23-15-25-37(4)27-17-29-39(6)31-19-33-41(9,10)43-11/h12-17,19-29,31,42H,18,30,32-33H2,1-11H3/b13-12+,22-14+,23-15+,26-16+,27-17+,31-19+,34-20+,35-21+,36-24+,37-25+,38-28+,39-29+
InChI Key CGEVWQFVGBQXOA-WQMGISBJSA-N
Popularity 7 references in papers

Physical and Chemical Properties

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Molecular Formula C41H60O2
Molecular Weight 584.90 g/mol
Exact Mass 584.45933115 g/mol
Topological Polar Surface Area (TPSA) 29.50 Ų
XlogP 13.40

Synonyms

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Rhodovibrin, all-trans-
SCHEMBL39362
CHEBI:80149
CGEVWQFVGBQXOA-WQMGISBJSA-N
LMPR01070136
.psi.,.psi.-Carotene, 3,4-didehydro-1,1',2,2'-tetrahydro-1'-hydroxy-1-methoxy-
Lycopene, 3,4-didehydro-1,1',2,2'-tetrahydro-1'-hydroxy-1-methoxy-, all-trans-
(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,8,10,12,14,16,18,20,22,24,26,28-dodecaen-2-ol
Q27149266
(3E)-3,4-Didehydro-1,1',2,2'-tetrahydro-psi,psi-carotene #

2D Structure

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2D Structure of Rhodovibrin

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.96% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 90.98% 91.11%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.74% 99.17%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.62% 86.33%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 85.61% 96.95%
CHEMBL3401 O75469 Pregnane X receptor 81.85% 94.73%
CHEMBL2581 P07339 Cathepsin D 81.83% 98.95%
CHEMBL1870 P28702 Retinoid X receptor beta 81.41% 95.00%
CHEMBL2815 P04629 Nerve growth factor receptor Trk-A 81.38% 87.16%
CHEMBL2061 P19793 Retinoid X receptor alpha 81.30% 91.67%
CHEMBL1977 P11473 Vitamin D receptor 80.20% 99.43%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 80.14% 89.34%

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 5366505
LOTUS LTS0193064
wikiData Q27149266