Lilaline

CAT: 1596-AR-K01590-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-K01590-01Size:10 Units

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CAS Number

110011-49-9

Molecular Formula

C20H17NO7

Molecular Weight

383.36

API Name

Kaempferol

Chemical Information

2-Pyrrolidinone, 3-methyl-5-(3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-yl)-

Lilaline is a tetrahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 5, 7 and 4' and a 4-methyl-5-oxopyrrolidin-2-yl group at position 8. It has a role as a plant metabolite. It is a tetrahydroxyflavone, a 7-hydroxyflavonol and a member of pyrrolidin-2-ones.

CAS Number	110011-49-9
PubChem CID	5281826
IUPAC Name	3-methyl-5-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]pyrrolidin-2-one
Molecular Formula	C20H17NO7
Molecular Weight	383.4
XLogP	2.3
Topological Polar Surface Area	136
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Heavy Atom Count	28
Formal Charge	0
Complexity	684

SMILES

CC1CC(NC1=O)C2=C(C=C(C3=C2OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)O

InChI

InChI=1S/C20H17NO7/c1-8-6-11(21-20(8)27)14-12(23)7-13(24)15-16(25)17(26)18(28-19(14)15)9-2-4-10(22)5-3-9/h2-5,7-8,11,22-24,26H,6H2,1H3,(H,21,27)

InChIKey

YDCRQLJCXBNURP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 110011-49-9

CID: 5281826

Formula: C20H17NO7

MW: 383.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	383.4
XLogP3	2.3
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	383.10050188
Monoisotopic Mass	383.10050188
Topological Polar Surface Area	136 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	684
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Lilaline

Chemical Information

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