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Inuviscolide

CAT: 0931-T72965-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T72965-02Size:50 mg
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CAS Number
63109-30-8
Target
Others, Apoptosis
Related Pathways
Apoptosis, Others
Bioactivity
Inuviscolide, an apoptosis inducer, demonstrates the capacity to induce G2/M arrest in human melanoma cell lines. Exhibiting both antineoplastic and anti-inflammatory activities, this compound shows potential in cancer therapy.
Smiles
C[C@]1(O)[C@]2([C@@](C(=C)C[C@]3([C@](C2)(C(=C)C(=O)O3)[H])[H])(CC1)[H])[H]
Molecular Formula
C15H20O3
Molecular Weight
248.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Inuviscolide

Inuviscolide is a sesquiterpene lactone that is decahydroazuleno[6,5-b]furan-2(3H)-one substituted by a hydroxy group at position 5, a methyl group at position 5 and methylidene groups at positions 3 and 8 (the 3aR,4aR,5R,7aS,9aS stereoisomer). Isolated from the aerial parts of Inula hupehensis, it exhibits anti-inflammatory activity. It has a role as an anti-inflammatory agent and a plant metabolite. It is a tertiary alcohol, an organic heterotricyclic compound, a gamma-lactone and a sesquiterpene lactone.

CAS Number63109-30-8
PubChem CID176489
IUPAC Name(3aS,5aS,8R,8aR,9aR)-8-hydroxy-8-methyl-1,5-dimethylidene-3a,4,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-2-one
Molecular FormulaC15H20O3
Molecular Weight248.32
XLogP1.8
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity439
SMILES
C[C@]1(CC[C@H]2[C@H]1C[C@H]3[C@H](CC2=C)OC(=O)C3=C)O
InChI
InChI=1S/C15H20O3/c1-8-6-13-11(9(2)14(16)18-13)7-12-10(8)4-5-15(12,3)17/h10-13,17H,1-2,4-7H2,3H3/t10-,11-,12-,13+,15-/m1/s1
InChIKey
GTYUWNQOOLJZBM-XLFUENPSSA-N
Chemical Structure
2D Structure
2D structure of Inuviscolide
CAS: 63109-30-8
CID: 176489
Formula: C15H20O3
MW: 248.32
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.32
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass248.14124450
Monoisotopic Mass248.14124450
Topological Polar Surface Area46.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity439
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5815203Inuviscolide

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