14-Deoxy-11,12-didehydroandrographolide

CAT: 0931-TQ0185-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-TQ0185-01Size:1 mg

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CAS Number

42895-58-9

Target

NF-κB

Related Pathways

NF-κB

Purity

0.9993

Bioactivity

14-Deoxy-11,12-didehydroandrographolide (AP10) has hypotensive, anti-inflammatory, anti-asthma, and anti-cancer actions. It can inhibit NF-κB activation.

Smiles

CC1(CO)C(O)CCC2(C)C(CCC3=CCOC3=O)C(=C)CCC12

Molecular Formula

C20H28O4

Molecular Weight

332.43

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

14-Deoxy-11,12-dehydroandrographolide

14-Deoxy-11,12-didehydroandrographolide is a natural product found in Andrographis paniculata. It has a role as a metabolite.

CAS Number	42895-58-9
PubChem CID	5708351
IUPAC Name	4-[(E)-2-[(1R,4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]-2H-furan-5-one
Molecular Formula	C20H28O4
Molecular Weight	332.4
XLogP	3.2
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	24
Formal Charge	0
Complexity	605

SMILES

C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2/C=C/C3=CCOC3=O)(C)CO)O

InChI

InChI=1S/C20H28O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h5-6,9,15-17,21-22H,1,4,7-8,10-12H2,2-3H3/b6-5+/t15-,16+,17-,19+,20+/m1/s1

InChIKey

XMJAJFVLHDIEHF-CRBRZBHVSA-N

Chemical Structure

2D Structure

CAS: 42895-58-9

CID: 5708351

Formula: C20H28O4

MW: 332.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	332.4
XLogP3	3.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	332.19875937
Monoisotopic Mass	332.19875937
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	605
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
GTR19166236-01	14-Deoxy-11,12-didehydroandrographolide
SM5172-5mg	14-Deoxy-11, 12-didehydroandrographolide
HY-N1490R	14-Deoxy-11,12-didehydroandrographolide (Standard)
MBS3611652-01	14-Deoxy-1112-didehydroandrographolide
TTE1318	14-Deoxy-11,12-didehydroandrographiside
371076	14-Deoxy-11,12-dehydroandrographolide discontinued
GTR19180104	14-Deoxy-12-hydroxyandrographolide
TTE1319	14-Deoxy-11-hydroxyandrographolide
MBS5786830	14-Deoxy-11-oxoandrographolide

14-Deoxy-11,12-didehydroandrographolide

Chemical Information

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