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Jineol

CAT: 0931-T32291-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T32291-02Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
178762-28-2
Target
Others, Antibacterial, Tyrosinase
Related Pathways
Others, Microbiology/Virology, Proteases/Proteasome
Purity
0.9955
Bioactivity
Jineol (NSC-694081) is a quinoline alkaloid from Scolopendra subspinipes. Jineol shows cytotoxic activity against the growth of human tumor cell lines in vitro.
Smiles
Oc1cnc2c(O)cccc2c1
Molecular Formula
C9H7NO2
Molecular Weight
161.16
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Jineol

Jineol is a dihydroxyquinoline that is quinoline substituted by hydroxy groups at positions 3 and 8. Isolated from the centipede Scolopendra subspinipes, it exhibits cytotoxic activity against human tumour cell lines. It has a role as a metabolite and an antineoplastic agent. It is a dihydroxyquinoline, a quinoline alkaloid and a member of quinolines.

CAS Number178762-28-2
PubChem CID177338
IUPAC Namequinoline-3,8-diol
Molecular FormulaC9H7NO2
Molecular Weight161.16
XLogP1.7
Topological Polar Surface Area53.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity163
SMILES
C1=CC2=CC(=CN=C2C(=C1)O)O
InChI
InChI=1S/C9H7NO2/c11-7-4-6-2-1-3-8(12)9(6)10-5-7/h1-5,11-12H
InChIKey
IGDFDIZIHMFYGR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Jineol
CAS: 178762-28-2
CID: 177338
Formula: C9H7NO2
MW: 161.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight161.16
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass161.047678466
Monoisotopic Mass161.047678466
Topological Polar Surface Area53.4 Ų
Heavy Atom Count12
Formal Charge0
Complexity163
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-119529-01Jineol

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