Agrostophyllidin

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Description

Agrostophyllidin is a stilbenoid isolated from the Indian Orchidaceae[1].

CAS Number

178439-50-4

UNSPSC

12352005

Target

Others

Type

Natural Products

Related Pathways

Others

Field of Research

Others

Assay Protocol

https://www.medchemexpress.com/agrostophyllidin.html

Solubility

10 mM in DMSO

Smiles

OC1=CC2=C(C(CO3)=C1OC)C(C3=CC(OC)=C4)=C4CC2

Molecular Formula

C17H16O4

Molecular Weight

284.31

References & Citations

[1]P.L.Majumder, et al. Four stilbenoids from the orchid Agrostophyllum khasiyanum.Phytochemistry. Volume 42, Issue 4, July 1996, Pages 1157-1161.

Shipping Conditions

Room temperature

Scientific Category

Natural Products

Clinical Information

No Development Reported

Chemical Information

Agrostophyllidin

Agrostophyllidin has been reported in Agrostophyllum planicaule with data available.

CAS Number	178439-50-4
PubChem CID	101992974
IUPAC Name	5,13-dimethoxy-2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-ol
Molecular Formula	C17H16O4
Molecular Weight	284.31
XLogP	3
Topological Polar Surface Area	47.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	21
Formal Charge	0
Complexity	387

SMILES

COC1=CC2=C3C(=C1)OCC4=C3C(=CC(=C4OC)O)CC2

InChI

InChI=1S/C17H16O4/c1-19-11-5-9-3-4-10-6-13(18)17(20-2)12-8-21-14(7-11)16(9)15(10)12/h5-7,18H,3-4,8H2,1-2H3

InChIKey

RWCTZGNIHHTMKW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 178439-50-4

CID: 101992974

Formula: C17H16O4

MW: 284.31

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	284.31
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	284.10485899
Monoisotopic Mass	284.10485899
Topological Polar Surface Area	47.9 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	387
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

Alternative Products

Catalog	Name
DHA43950-01	Agrostophyllidin

Agrostophyllidin

Chemical Information

Alternative Products

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