Prionoid D

CAT: 0926-EKB32477-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-EKB32477-02Size:25 mg

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CAS Number

879324-77-3

Smiles

CC1=C (C2=C (C=C1) C=C (C (=O) C2=O) C (C) C) C (=O) CCC (C) (C) O

Molecular Formula

C20H24O4

Molecular Weight

328.4 g/mol

Controlled

Chemical Information

Prionoid D

Prionoid D has been reported in Salvia prionitis with data available.

CAS Number	879324-77-3
PubChem CID	11566103
IUPAC Name	8-(4-hydroxy-4-methylpentanoyl)-7-methyl-3-propan-2-ylnaphthalene-1,2-dione
Molecular Formula	C20H24O4
Molecular Weight	328.4
XLogP	2.9
Topological Polar Surface Area	71.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	24
Formal Charge	0
Complexity	570

SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)C2=O)C(C)C)C(=O)CCC(C)(C)O

InChI

InChI=1S/C20H24O4/c1-11(2)14-10-13-7-6-12(3)16(17(13)19(23)18(14)22)15(21)8-9-20(4,5)24/h6-7,10-11,24H,8-9H2,1-5H3

InChIKey

OCTDHGFZGVITEW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 879324-77-3

CID: 11566103

Formula: C20H24O4

MW: 328.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	328.4
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	328.16745924
Monoisotopic Mass	328.16745924
Topological Polar Surface Area	71.4 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	570
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
EKB32475-01	Prionoid B
EKB32476-01	Prionoid C
EKB32478-01	Prionoid E
SNA87755-01	D-Lys-D-Leu-D-Val-D-Phe-D-Phe-D-Ala trifluoroacetate
FA108406-01	H-D-Ala-D-Ala-D-Ala-D-Ala-D-Ala-D-Ala-OH
FA108403-01	H-D-Ala-D-Ala-D-Ala-D-Ala-D-Ala-OH
FC110132-01	H-Cys (NPys) -D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-NH2 trifluoroacetate salt
VAC-00149-01	[D-Arg1, D-Pro2, D-Phe7, D-His9]-Substance P
FA108400-01	H-D-Ala-D-Ala-D-Ala-D-Ala-OH
FF111356-01	Fmoc-D-Pro-D-Pro-D-Pro-D-Pro-OH