Araneosol

CAT: 0926-ACA46186-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-ACA46186-02Size:10 mg

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CAS Number

50461-86-4

MDL Number

MFCD18969289

Smiles

COC1=CC=C (C=C1) C2=C (C (=O) C3=C (C (=C (C (=C3O2) OC) O) OC) O) OC

Molecular Formula

C19H18O8

Molecular Weight

374.3 g/mol

Controlled

Chemical Information

Araneosol

Araneosol has been reported in Herissantia tiubae, Anaphalis busua, and other organisms with data available.

CAS Number	50461-86-4
PubChem CID	5491522
IUPAC Name	5,7-dihydroxy-3,6,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one
Molecular Formula	C19H18O8
Molecular Weight	374.3
XLogP	3.1
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Heavy Atom Count	27
Formal Charge	0
Complexity	568

SMILES

COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)OC

InChI

InChI=1S/C19H18O8/c1-23-10-7-5-9(6-8-10)15-18(25-3)13(21)11-12(20)17(24-2)14(22)19(26-4)16(11)27-15/h5-8,20,22H,1-4H3

InChIKey

UZIFGCHUAVTVIL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 50461-86-4

CID: 5491522

Formula: C19H18O8

MW: 374.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	374.3
XLogP3	3.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	374.10016753
Monoisotopic Mass	374.10016753
Topological Polar Surface Area	104 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	568
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
379607	Araneosol