9,9'-Di-cis-zeta-carotene

Details

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Internal ID 343603e9-c66a-40ec-b86e-e1de65e37b30
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Tetraterpenoids > Carotenoids > Carotenes
IUPAC Name (6E,10Z,12E,14E,16E,18E,20E,22Z,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,26,30-undecaene
SMILES (Canonical) CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C
SMILES (Isomeric) CC(=CCC/C(=C/CC/C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)\C)/C)/C)C
InChI InChI=1S/C40H60/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-16,19-22,25-30H,13-14,17-18,23-24,31-32H2,1-10H3/b12-11+,25-15+,26-16+,35-21+,36-22+,37-27+,38-28+,39-29-,40-30-
InChI Key BIWLELKAFXRPDE-ZURBLSRNSA-N
Popularity 27 references in papers

Physical and Chemical Properties

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Molecular Formula C40H60
Molecular Weight 540.90 g/mol
Exact Mass 540.469501914 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 15.50

Synonyms

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72746-33-9
(6E,10Z,12E,14E,16E,18E,20E,22Z,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,26,30-undecaene
(9-cis,9'-cis)-7,7',8,8'-tetrahydro-psi,psi-carotene
341QZ5N3E6
9-cis,9'-cis-7,8,7',8'-tetrahydro-psi,psi-carotene
Zeta Carotene
UNII-341QZ5N3E6
zeta -carotene
.ZETA.-CAROTENE
9,9'-dicis-zeta-Carotene
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 9,9'-Di-cis-zeta-carotene

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
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 95.40% 92.08%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 85.95% 96.09%
CHEMBL3401 O75469 Pregnane X receptor 83.33% 94.73%
CHEMBL2581 P07339 Cathepsin D 82.58% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 81.28% 91.11%
CHEMBL221 P23219 Cyclooxygenase-1 80.31% 90.17%

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.
Rosa rugosa

Cross-Links

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PubChem 6440490
LOTUS LTS0218431
wikiData Q27121351