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Violaceol I

CAT: 0931-T124415-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T124415-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
68027-81-6
Target
Others
Related Pathways
Others
Bioactivity
Violaceol I is a useful organic compound for research related to life sciences. The catalog number is T124415 and the CAS number is 68027-81-6.
Smiles
Cc1cc(O)c(O)c(Oc2cc(C)cc(O)c2O)c1
Molecular Formula
C14H14O5
Molecular Weight
262.261
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Violaceol I

Violaceol I is an aromatic ether in which the ether functionality links two 2,3-dihydroxy-5-methylphenyl groups. Fungal metabolite isolated inter alia from Aspergillus spp. It has a role as a metabolite and a mycotoxin. It is a member of catechols and an aromatic ether.

CAS Number68027-81-6
PubChem CID100615
IUPAC Name3-(2,3-dihydroxy-5-methylphenoxy)-5-methylbenzene-1,2-diol
Molecular FormulaC14H14O5
Molecular Weight262.26
XLogP2.8
Topological Polar Surface Area90.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity270
SMILES
CC1=CC(=C(C(=C1)OC2=CC(=CC(=C2O)O)C)O)O
InChI
InChI=1S/C14H14O5/c1-7-3-9(15)13(17)11(5-7)19-12-6-8(2)4-10(16)14(12)18/h3-6,15-18H,1-2H3
InChIKey
YRZXKRQRZJMBFT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Violaceol I
CAS: 68027-81-6
CID: 100615
Formula: C14H14O5
MW: 262.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight262.26
XLogP32.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass262.08412354
Monoisotopic Mass262.08412354
Topological Polar Surface Area90.2 Ų
Heavy Atom Count19
Formal Charge0
Complexity270
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

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