Sartorypyrone D

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CAS Number

1801167-48-5

UNSPSC Description

Sartorypyrone D is a NADH-fumarate reductase inhibitor that can be produced by Neosartorya fischeri FO-5897[1].

Target Antigen

Reactive Oxygen Species

Type

Natural Products

Related Pathways

Immunology/Inflammation;Metabolic Enzyme/Protease;NF-κB

Field of Research

Inflammation/Immunology

Assay Protocol

https://www.medchemexpress.com/sartorypyrone-d.html

Smiles

OC(C=C(OC1=O)C)=C1C/C=C(C)/CC/C=C(C)/CC[C@H]2C(C)([C@H](CCC2=C)O)C

Molecular Weight

414.58

References & Citations

[1]Satoru Kaifuchi, et al. Sartorypyrone D: a new NADH-fumarate reductase inhibitor produced by Neosartorya fischeri FO-5897. J Antibiot (Tokyo). 2015 Jun;68(6):403-5.

Shipping Conditions

Room temperature

Clinical Information

No Development Reported

Chemical Information

CID 132556961

CAS Number	1801167-48-5
PubChem CID	132556961
IUPAC Name	4-hydroxy-3-[(2E,6E)-9-[(1R,3S)-3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-dienyl]-6-methylpyran-2-one
Molecular Formula	C26H38O4
Molecular Weight	414.6
XLogP	6.2
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Heavy Atom Count	30
Formal Charge	0
Complexity	792

SMILES

CC1=CC(=C(C(=O)O1)C/C=C(\C)/CC/C=C(\C)/CC[C@@H]2C(=C)CC[C@@H](C2(C)C)O)O

InChI

InChI=1S/C26H38O4/c1-17(10-13-21-23(27)16-20(4)30-25(21)29)8-7-9-18(2)11-14-22-19(3)12-15-24(28)26(22,5)6/h9-10,16,22,24,27-28H,3,7-8,11-15H2,1-2,4-6H3/b17-10+,18-9+/t22-,24+/m1/s1

InChIKey

YFZBONHCMBXFDD-JVRYRRRMSA-N

Chemical Structure

2D Structure

CAS: 1801167-48-5

CID: 132556961

Formula: C26H38O4

MW: 414.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	414.6
XLogP3	6.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	414.27700969
Monoisotopic Mass	414.27700969
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	792
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
S127-1MG	Sartorypyrone B
TN8135-01	Sartorypyrone A
T36875	Sartorypyrone D

Sartorypyrone D

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