Pancixanthone A

CAT: 0926-ZGA23230-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-ZGA23230-02Size:25 mg

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CAS Number

174232-30-5

Smiles

C1=CC2=C (C=C1C#N) C (=CN2) CCC (=O) O

Molecular Formula

C18H16O5

Molecular Weight

312.30 g/mol

Controlled

Chemical Information

Pancixanthone A

Pancixanthone A has been reported in Garcinia assugu and Cratoxylum sumatranum with data available.

CAS Number	174232-30-5
PubChem CID	10852567
IUPAC Name	1,3,5-trihydroxy-4-(2-methylbut-3-en-2-yl)xanthen-9-one
Molecular Formula	C18H16O5
Molecular Weight	312.3
XLogP	4.4
Topological Polar Surface Area	87
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	23
Formal Charge	0
Complexity	488

SMILES

CC(C)(C=C)C1=C(C=C(C2=C1OC3=C(C2=O)C=CC=C3O)O)O

InChI

InChI=1S/C18H16O5/c1-4-18(2,3)14-12(21)8-11(20)13-15(22)9-6-5-7-10(19)16(9)23-17(13)14/h4-8,19-21H,1H2,2-3H3

InChIKey

PNPYKPQUXNWIPR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 174232-30-5

CID: 10852567

Formula: C18H16O5

MW: 312.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	312.3
XLogP3	4.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	312.09977361
Monoisotopic Mass	312.09977361
Topological Polar Surface Area	87 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	488
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HY-N8338	Pancixanthone A