Prionoid E

CAT: 0926-EKB32478-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-EKB32478-01Size:10 mg

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CAS Number

879324-78-4

Smiles

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

Molecular Formula

C20H22O4

Molecular Weight

326.4 g/mol

Controlled

Chemical Information

Prionoid E

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

CAS Number	879324-78-4
PubChem CID	53483983
IUPAC Name	8-[(E)-4-hydroxy-4-methylpent-2-enoyl]-7-methyl-3-propan-2-ylnaphthalene-1,2-dione
Molecular Formula	C20H22O4
Molecular Weight	326.4
XLogP	2.8
Topological Polar Surface Area	71.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	24
Formal Charge	0
Complexity	609

SMILES

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

InChI

InChI=1S/C20H22O4/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/h6-11,24H,1-5H3/b9-8+

InChIKey

QRIJFKANMJMVFQ-CMDGGOBGSA-N

Chemical Structure

2D Structure

CAS: 879324-78-4

CID: 53483983

Formula: C20H22O4

MW: 326.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	326.4
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	326.15180918
Monoisotopic Mass	326.15180918
Topological Polar Surface Area	71.4 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	609
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes