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Aldehydes and ketones

Adonixanthin

Also known as Doradexanthin, 4-Ketozeaxanthin, 4-Keto-zeaxanthin

CAS 4418-73-9Formula C40H54O3Molar mass 582.87 g/mol
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Adonixanthin chemical structure, C40H54O3, CAS 4418-73-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
4418-73-9
Formula
C40H54O3
Molar mass
582.87 g/mol
HS code
291440
Category
Aldehydes and ketones

What is Adonixanthin?

Plain description, key identifiers and synonyms

Adonixanthin is a carotenone that consists of beta,beta-caroten-4-one bearing two hydroxy substituents at positions 3 and 3' (the 3S,3'R diastereomer). It has a role as an antineoplastic agent, an animal metabolite, a marine metabolite, a plant metabolite, a bacterial metabolite and an algal metabolite. It is a carotenone, a secondary alcohol and a cyclic ketone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one
CAS number
4418-73-9
Molecular formula
C40H54O3
UNII
PSZ3Q7662U
InChIKey
YECXHLPYMXGEBI-ZNQVSPAOSA-N
InChI
InChI=1S/C40H54O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-24,34,37,41-42H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,37+/m1/s1
Canonical SMILES
CC(C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)C(O)CC1(C)C
Isomeric SMILES
CC1=C(C(C[C@@H](C1)O)(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(=O)[C@H](CC2(C)C)O)C)/C)/C

Synonyms

  • Doradexanthin
  • 4-Ketozeaxanthin
  • 4-Keto-zeaxanthin
  • (3S,3'R)-Adonixanthin
  • 3,3'-Dihydroxyechinenone
  • All-trans-beta-doradexanthin
  • (3S,3'R)-4-Keto-zeaxanthin
  • beta-Caroten-4-one, 3,3'-dihydroxy-
  • (3S,3'R)-3,3'-Dihydroxy-beta,beta-caroten-4-one
  • beta,beta-Caroten-4-one, 3,3'-dihydroxy-, (3S,3'R)-
  • beta-Doradexanthin
  • all-trans-adonixanthin
  • Adonixanthin/ 4-Ketozeaxanthin
  • 3,3'-dihydroxy-4-keto-beta,beta-carotene
  • 3,3'-Dihydroxy-beta,beta-carotene-4-one
  • (3S,3'R)-dihydroxy-4-keto-beta,beta-carotene

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
582.87 g/molcalc.
Exact mass
582.4073 Dacalc.
LogP (octanol/water)
9.73calc.
Topological polar surface area
57.53 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
10calc.
Heavy atoms
43calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.43calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1C=C(C=CC=CC=CC=CC=CC=CC=CC=CC=CC2=CCCCC2)CCC1

O=C1C=C(C=CC=CC=CC=CC=CC=CC=CC=CC=CC2=CCCCC2)CCC1

2 rings, 31 atoms.

6 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Adonixanthin suppliers

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Adonixanthin price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Roles

  • algal metabolite
  • animal metabolite
  • antineoplastic agent
  • bacterial metabolite
  • eukaryotic metabolite
  • marine metabolite
  • metabolite
  • pharmaceutical
  • plant metabolite
  • prokaryotic metabolite

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Adonixanthin is traded under.

HS 2914.40Indicative HS code

Ketone-alcohols and ketone-aldehydes

World exports in 2024
$199M
+2.5% vs 2023, imports $247M
2019 to 2024
Top exporters
  1. China29.5%
  2. Germany14.4%
  3. Netherlands12.7%
Top importers
  1. United States37.2%
  2. Netherlands8.5%
  3. Germany6.4%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Adonixanthin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Adonixanthin, based on the data on this page

What is Adonixanthin?

Adonixanthin is a carotenone that consists of beta,beta-caroten-4-one bearing two hydroxy substituents at positions 3 and 3' (the 3S,3'R diastereomer). It has a role as an antineoplastic agent, an animal metabolite, a marine metabolite, a plant metabolite, a bacterial metabolite and an algal metabolite.

What is the CAS number of Adonixanthin?

The CAS registry number of Adonixanthin is 4418-73-9.

What is the molecular formula and weight of Adonixanthin?

The molecular formula of Adonixanthin is C40H54O3 and its molar mass is 582.87 g/mol.

What is Adonixanthin used for?

Known uses and roles of Adonixanthin include algal metabolite, animal metabolite, antineoplastic agent, bacterial metabolite, eukaryotic metabolite and 5 more.

Is Adonixanthin hazardous?

No GHS hazard classification for Adonixanthin is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Adonixanthin?

Adonixanthin is usually classified under HS code 291440 (Ketone-alcohols and ketone-aldehydes). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Adonixanthin?

Post a free request on CompoundList and suppliers of Adonixanthin will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Adonixanthin?

Suppliers quote Adonixanthin on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Adonixanthin

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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