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Lactucin

CAT: 0931-TN6998-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TN6998-01Size:1 mg
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CAS Number
1891-29-8
Target
Parasite, Apoptosis
Related Pathways
Apoptosis, Microbiology/Virology
Bioactivity
Lactucin is a natural product.
Smiles
C(O)C=1[C@@]2([C@@]3([C@](C(=C)C(=O)O3)([C@@H](O)CC(C)=C2C(=O)C1)[H])[H])[H]
Molecular Formula
C15H16O5
Molecular Weight
276.28
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

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. 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.

CAS Number1891-29-8
PubChem CID442266
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
Molecular FormulaC15H16O5
Molecular Weight276.28
XLogP-0.7
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity583
SMILES
CC1=C2[C@@H]([C@@H]3[C@@H]([C@H](C1)O)C(=C)C(=O)O3)C(=CC2=O)CO
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
InChIKey
VJQAFLAZRVKAKM-VZLIPTOUSA-N
Chemical Structure
2D Structure
2D structure of Lactucin
CAS: 1891-29-8
CID: 442266
Formula: C15H16O5
MW: 276.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight276.28
XLogP3-0.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass276.09977361
Monoisotopic Mass276.09977361
Topological Polar Surface Area83.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity583
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19179403Lactucin
HY-N9438RLactucin (Standard)

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