Rivularin

CAT: 0127-BUP21485-04Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP21485-04Size:25 mg

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CAS Number

70028-59-0

Synonyms

Skullcapflavone

MDL Number

MFCD21333528

Purity

=98%

Smiles

O=C1C=C(OC2=C(OC)C(OC)=CC(O)=C12)C=3C(O)=CC=CC3OC

Chemical Information

Rivularin (flavone)

rivularin (flavone) has been reported in Lagochilus leiacanthus, Scutellaria indica, and other organisms with data available.

CAS Number	70028-59-0
PubChem CID	13889022
IUPAC Name	5-hydroxy-2-(2-hydroxy-6-methoxyphenyl)-7,8-dimethoxychromen-4-one
Molecular Formula	C18H16O7
Molecular Weight	344.3
XLogP	2.9
Topological Polar Surface Area	94.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	25
Formal Charge	0
Complexity	520

SMILES

COC1=CC=CC(=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)OC)O

InChI

InChI=1S/C18H16O7/c1-22-12-6-4-5-9(19)16(12)13-7-10(20)15-11(21)8-14(23-2)17(24-3)18(15)25-13/h4-8,19,21H,1-3H3

InChIKey

IYMNRCWUEDWTPE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 70028-59-0

CID: 13889022

Formula: C18H16O7

MW: 344.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	344.3
XLogP3	2.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	344.08960285
Monoisotopic Mass	344.08960285
Topological Polar Surface Area	94.5 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	520
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
582870	Rivularin