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Heterocyclic compounds

Lactucin

Also known as Lactucine, (3aR,4S,9aS,9bR)-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione, (3Ar,4S,9as,9br)-3,3a,4,5,9a,9b-hexahydro-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methyleneazuleno(4,5-b)furan-2,7-dione

CAS 1891-29-8Formula C15H16O5Molar mass 276.29 g/molEC 112-288-6
GHS signal word: Warning. Pictograms: Harmful or irritant 2 suppliers listed
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Lactucin chemical structure, C15H16O5, CAS 1891-29-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1891-29-8
Formula
C15H16O5
Molar mass
276.29 g/mol
EC number
112-288-6
HS code
293220
Category
Heterocyclic compounds

What is Lactucin?

Plain description, key identifiers and synonyms

Lactucin is an azulenofuran that is 3-methylidene-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione carrying additional hydroxy, methyl and hydroxymethyl substituents at positions 4, 6 and 9 respectively (the 3aR,4S,9aS,9bR-diastereomer). Found in chicory. It has a role as a sedative, an antimalarial and a plant metabolite. It is a primary alcohol, a secondary alcohol, a cyclic terpene ketone, a sesquiterpene lactone, an azulenofuran and an enone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3aR,4S,9aS,9bR)-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione
CAS number
1891-29-8 CAS number cross-checked
EC number
112-288-6
Molecular formula
C15H16O5
UNII
R6E2918904
InChIKey
VJQAFLAZRVKAKM-VZLIPTOUSA-N
InChI
InChI=1S/C15H16O5/c1-6-3-9(17)12-7(2)15(19)20-14(12)13-8(5-16)4-10(18)11(6)13/h4,9,12-14,16-17H,2-3,5H2,1H3/t9-,12+,13-,14-/m0/s1
Canonical SMILES
C=C1C(=O)OC2C3C(CO)=CC(=O)C3=C(C)CC(O)C12
Isomeric SMILES
CC1=C2[C@@H]([C@@H]3[C@@H]([C@H](C1)O)C(=C)C(=O)O3)C(=CC2=O)CO

Synonyms

  • Lactucine
  • (3aR,4S,9aS,9bR)-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione
  • (3Ar,4S,9as,9br)-3,3a,4,5,9a,9b-hexahydro-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methyleneazuleno(4,5-b)furan-2,7-dione
  • (3aR,4S,9aS,9bR)-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylene-4,5,9a,9b-tetrahydro-3aH-azuleno(4,5-b)furan-2,7-dione
  • (3aR,4S,9aS,9bR)-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione
  • (3aR,4S,9aS,9bR)-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno(4,5-b)furan-2,7-dione
  • Vjqaflazrvkakm-vzliptousa-
  • (3aR,4S,9aS,9bR)-4-Hydroxy-9-(hydroxymethyl)-6-methyl-3-methylene-3,3a,4,5-tetrahydroazuleno[4,5-b]furan-2,7(9aH,9bH)-dione
  • (3aR,4S,9aS,9bR)-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylidene-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
  • Azuleno(4,5-b)furan-2,7-dione, 3,3a,4,5,9a,9b-hexahydro-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylene-, (3aR-(3aalpha,4beta,9aalpha,9bbeta))-

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
276.29 g/molcalc.
Exact mass
276.0998 Dacalc.
LogP (octanol/water)
0.28calc.
Topological polar surface area
83.83 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
1calc.
Heavy atoms
20calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.47calc.
Formal charge
0calc.
Stereocentres
4calc.
Lipinski rule of five
Passes (0 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, C=C1C(=O)OC2C3C=CC(=O)C3=CCCC12

C=C1C(=O)OC2C3C=CC(=O)C3=CCCC12

3 rings, 16 atoms.

9 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H317May cause an allergic skin reaction.
Precautionary statements (8)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P272Contaminated work clothing should not be allowed out of the workplace.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P333 + P317If skin irritation or rash occurs: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P501Dispose of contents and container in accordance with local regulations.

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

Full safety data and first aid

Lactucin suppliers

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All 2 suppliers

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Where suppliers are based

2 suppliers in 2 countries

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Lactucin 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

  • antiinfective agent
  • antimalarial
  • antimicrobial agent
  • antimicrobial drug
  • antiparasitic agent
  • antiplasmodial drug
  • antiprotozoal drug
  • central nervous system depressant
  • central nervous system drug
  • eukaryotic metabolite
  • metabolite
  • pharmaceutical
  • plant metabolite
  • sedative

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 Lactucin is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Lactucin?

Lactucin is an azulenofuran that is 3-methylidene-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione carrying additional hydroxy, methyl and hydroxymethyl substituents at positions 4, 6 and 9 respectively (the 3aR,4S,9aS,9bR-diastereomer). Found in chicory.

What is the CAS number of Lactucin?

The CAS registry number of Lactucin is 1891-29-8.

What is the molecular formula and weight of Lactucin?

The molecular formula of Lactucin is C15H16O5 and its molar mass is 276.29 g/mol.

What is Lactucin used for?

Known uses and roles of Lactucin include antiinfective agent, antimalarial, antimicrobial agent, antimicrobial drug, antiparasitic agent and 9 more.

Is Lactucin hazardous?

Lactucin carries the GHS signal word "Warning". Main hazards: may cause an allergic skin reaction. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Lactucin?

Lactucin is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Lactucin?

CompoundList lists 2 suppliers of Lactucin in China and Netherlands. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Lactucin?

Suppliers quote Lactucin 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

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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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