EcoDrugPlus


Synonyms	All-trans-fucoxanthin CHEBI:5186 Fucoxanthin Fucoxanthin, all-trans- Sebatrol
Status
Molecule Category	Free-form
UNII	06O0TC0VSM

Synonyms

All-trans-fucoxanthin

CHEBI:5186

Fucoxanthin

Fucoxanthin, all-trans-

Sebatrol

Status

Molecule Category

Free-form

UNII

06O0TC0VSM


InChI Key	MNUMHDZZMWCBBX-JWAQYZNWSA-N
Smiles	CC(=O)O[C@H]1CC(C)(C)C(=C=C/C(C)=C/C=C/C(C)=C/C=C(C)/C=C/C=C(\C)C(=O)C[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)[C@](C)(O)C1
InChI	InChI=1S/C40H56O6/c1-27(14-12-15-29(3)20-21-35-36(6,7)24-33(45-31(5)41)25-38(35,10)44)18-19-28(2)16-13-17-30(4)34(43)26-40-37(8,9)22-32(42)23-39(40,11)46-40/h12-20,32-33,42,44H,22-26H2,1-11H3/b14-12+,16-13+,27-18+,28-19+,29-15+,30-17+/t21?,32-,33-,38+,39+,40-/m0/s1

InChI Key

MNUMHDZZMWCBBX-JWAQYZNWSA-N

Smiles

CC(=O)O[C@H]1CC(C)(C)C(=C=C/C(C)=C/C=C/C(C)=C/C=C(C)/C=C/C=C(\C)C(=O)C[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)[C@](C)(O)C1

InChI

InChI=1S/C40H56O6/c1-27(14-12-15-29(3)20-21-35-36(6,7)24-33(45-31(5)41)25-38(35,10)44)18-19-28(2)16-13-17-30(4)34(43)26-40-37(8,9)22-32(42)23-39(40,11)46-40/h12-20,32-33,42,44H,22-26H2,1-11H3/b14-12+,16-13+,27-18+,28-19+,29-15+,30-17+/t21?,32-,33-,38+,39+,40-/m0/s1

Property Name	Value
Molecular Formula	C40H56O6
Molecular Weight	632.88
AlogP	8.14
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	10.0
Polar Surface Area	96.36
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	46.0

Property Name

Value

Molecular Formula

C40H56O6

Molecular Weight

632.88

AlogP

8.14

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

10.0

Polar Surface Area

96.36

Molecular species

NEUTRAL

Aromatic Rings

0.0

Heavy Atoms

46.0

Resources	Reference
ChEMBL	CHEMBL1773903
FDA SRS	06O0TC0VSM
ZINC	ZINC000071318645

Resources

Reference

ChEMBL

CHEMBL1773903

FDA SRS

06O0TC0VSM

ZINC

ZINC000071318645

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...

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Last update: Monday, 3 November 2025

FUCOXANTHIN

Structure

Physicochemical Descriptors

Cross References