PlantaeDB Logo
Login Sign-up

Nonaflavuxanthin

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

Top
Internal ID f942687d-e5c5-488d-9794-14dc6387c328
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Tetraterpenoids > Carotenoids > Xanthophylls
IUPAC Name (2E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E)-2,8,12,16,21,25,29,33-octamethyl-5-prop-1-en-2-yltetratriaconta-2,8,10,12,14,16,18,20,22,24,26,28,32-tridecaen-1-ol
SMILES (Canonical) CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC(CC=C(C)CO)C(=C)C)C)C)C)C
SMILES (Isomeric) CC(=CCC/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)/CCC(C/C=C(\C)/CO)C(=C)C)/C)/C)/C)C
InChI InChI=1S/C45H64O/c1-36(2)19-14-22-40(7)25-17-28-41(8)26-15-23-38(5)20-12-13-21-39(6)24-16-27-42(9)29-18-30-43(10)31-33-45(37(3)4)34-32-44(11)35-46/h12-13,15-21,23-30,32,45-46H,3,14,22,31,33-35H2,1-2,4-11H3/b13-12+,23-15+,24-16+,28-17+,29-18+,38-20+,39-21+,40-25+,41-26+,42-27+,43-30+,44-32+
InChI Key DVCGBQVEWVCRNX-WJDABEKTSA-N
Popularity 4 references in papers

Physical and Chemical Properties

Top
Molecular Formula C45H64O
Molecular Weight 621.00 g/mol
Exact Mass 620.495716661 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 16.40

Synonyms

Top
360064-01-3
CHEBI:139514
DTXSID501316784
(2E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E)-2,8,12,16,21,25,29,33-octamethyl-5-(prop-1-en-2-yl)tetratriaconta-2,8,10,12,14,16,18,20,22,24,26,28,32-tridecaen-1-ol

2D Structure

Top
2D Structure of Nonaflavuxanthin

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

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
CHEMBL4040 P28482 MAP kinase ERK2 96.48% 83.82%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 86.88% 91.11%
CHEMBL2581 P07339 Cathepsin D 86.72% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.01% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.77% 94.45%
CHEMBL3401 O75469 Pregnane X receptor 81.70% 94.73%
CHEMBL203 P00533 Epidermal growth factor receptor erbB1 81.30% 97.34%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.73% 99.17%

Plants that contains it

Top
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

Top
PubChem 102303871
LOTUS LTS0074953
wikiData Q74418227