EcoDrugPlus


Synonyms	African marigold flower Anchovyxanthin Aztec marigold flower Aztec marigold zeaxanthin extract Big marigold flower E 161H E-161H(I) INS NO.161H(I) INS-161H(I) Luteinofta Optisharp Tagetes erecta flower Tagetes ernstii flower Tagetes excelsa flower Tagetes heterocarpha flower
Status
Molecule Category	Free-form
UNII	CV0IB81ORO
EPA CompTox	DTXSID5046807


InChI Key	JKQXZKUSFCKOGQ-QAYBQHTQSA-N
Smiles	CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1
InChI	InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1

Property Name	Value
Molecular Formula	C40H56O2
Molecular Weight	568.89
AlogP	10.55
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	10.0
Polar Surface Area	40.46
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	42.0

Resources	Reference
ChEBI	27547
ChEMBL	CHEMBL2359248
DrugBank	DB11176
FDA SRS	CV0IB81ORO
KEGG	C06098
PubChem	5280899
SureChEMBL	SCHEMBL19442
ZINC	ZINC000008220175

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

ZEAXANTHIN

Structure

Physicochemical Descriptors

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