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Xantocillin

CAT: 0931-T17261Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T17261Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
580-74-5
Target
Others, ERK, MEK, Autophagy
Related Pathways
MAPK, Autophagy, Others
Bioactivity
Xanthocillin is a marine agent. Xanthocillin also induces autophagy through inhibition of the MEK/ERK pathway.
Smiles
Oc1ccc(\C=C(/[N+]#[C-])\C(=C\c2ccc(O)cc2)\[N+]#[C-])cc1
Molecular Formula
C18H12N2O2
Molecular Weight
288.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Xanthocillin X

Xantocillin is a small molecule drug. The usage of the INN stem '-cillin' in the name indicates that Xantocillin is a antibiotic, 6-aminopenicillanic acid derivative. Xantocillin has a monoisotopic molecular weight of 288.09 Da.

CAS Number580-74-5
PubChem CID5378293
IUPAC Name4-[(1Z,3Z)-4-(4-hydroxyphenyl)-2,3-diisocyanobuta-1,3-dienyl]phenol
Molecular FormulaC18H12N2O2
Molecular Weight288.3
XLogP3.1
Topological Polar Surface Area49.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity480
SMILES
[C-]#[N+]/C(=C\C1=CC=C(C=C1)O)/C(=C/C2=CC=C(C=C2)O)/[N+]#[C-]
InChI
InChI=1S/C18H12N2O2/c1-19-17(11-13-3-7-15(21)8-4-13)18(20-2)12-14-5-9-16(22)10-6-14/h3-12,21-22H/b17-11-,18-12-
InChIKey
YBMVKDUTYAGKEW-WHYMJUELSA-N
Chemical Structure
2D Structure
2D structure of Xanthocillin X
CAS: 580-74-5
CID: 5378293
Formula: C18H12N2O2
MW: 288.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.3
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass288.089877630
Monoisotopic Mass288.089877630
Topological Polar Surface Area49.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity480
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
T13967-01Xanthocillin X permethyl ether

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