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Epicocconone

CAT: 0931-T31652-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-T31652-02Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
371163-96-1
Target
Others
Related Pathways
Others
Bioactivity
Epicocconone is a fluorescent compound comes from the fungus epicoccumnigrum.
Smiles
C[C@@]12C(=C(\C(=C\C(/C=C/C=C/C=C/C)=O)\O)C(=O)O1)C=C3C(C2=O)=CO[C@H](CO)C3
Molecular Formula
C23H22O7
Molecular Weight
410.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Deep Purple

Epicocconone is a natural cell-permeable fluorescent compound isolated from the fungus Epicoccum nigrum. It has a role as a fluorochrome.

CAS Number371163-96-1
PubChem CID10223268
IUPAC Name(6S,9aS)-6-(hydroxymethyl)-3-[(1Z,4E,6E,8E)-1-hydroxy-3-oxodeca-1,4,6,8-tetraenyl]-9a-methyl-5,6-dihydrofuro[3,2-g]isochromene-2,9-dione
Molecular FormulaC23H22O7
Molecular Weight410.4
XLogP1.9
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity1000
SMILES
C/C=C/C=C/C=C/C(=O)/C=C(/C1=C2C=C3C[C@H](OC=C3C(=O)[C@]2(OC1=O)C)CO)\O
InChI
InChI=1S/C23H22O7/c1-3-4-5-6-7-8-15(25)11-19(26)20-18-10-14-9-16(12-24)29-13-17(14)21(27)23(18,2)30-22(20)28/h3-8,10-11,13,16,24,26H,9,12H2,1-2H3/b4-3+,6-5+,8-7+,19-11-/t16-,23-/m0/s1
InChIKey
JKMBMIMLVFMXRW-LYYFRFARSA-N
Chemical Structure
2D Structure
2D structure of Deep Purple
CAS: 371163-96-1
CID: 10223268
Formula: C23H22O7
MW: 410.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.4
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass410.13655304
Monoisotopic Mass410.13655304
Topological Polar Surface Area110 Ų
Heavy Atom Count30
Formal Charge0
Complexity1000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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