Ohchinin

CAT: 0804-HY-N3151Size: 1 EachDry Ice: NoHazardous: No

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Description

Ohchinin is a limonoid, that can be isolated from the fruit of Melia azedarach L.[1].

CAS Number

67023-80-7

UNSPSC

12352005

Target

Others

Type

Natural Products

Related Pathways

Others

Field of Research

Others

Assay Protocol

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

Solubility

10 mM in DMSO

Smiles

C[C@]12[C@@]3([H])[C@](OC[C@@]3([C@H](O)C[C@@H]2OC(/C=C/C4=CC=CC=C4)=O)C)([H])[C@]5([H])[C@@](C)(C6=C(C)[C@H](C7=COC=C7)C[C@@]6([H])O5)[C@@H]1CC(OC)=O

Molecular Formula

C36H42O8

Molecular Weight

602.71

References & Citations

[1]Akihisa T, et al. Limonoids from the fruits of Melia azedarach and their cytotoxic activities. Phytochemistry. 2013 May;89:59-70.

Shipping Conditions

Room temperature

Scientific Category

Natural Products

Clinical Information

No Development Reported

Chemical Information

Ohchinin

(1R,2S,4R,6R,9R,10R,11R,12S,14R,15R,18R)-6-(furan-3-yl)-14-hydroxy-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.0²,⁹.0⁴,⁸.0¹⁵,¹⁸]octadec-7-en-12-yl (2E)-3-phenylprop-2-enoate has been reported in Melia azedarach with data available.

CAS Number	67023-80-7
PubChem CID	102004580
IUPAC Name	[(1R,2S,4R,6R,9R,10R,11R,12S,14R,15R,18R)-6-(furan-3-yl)-14-hydroxy-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-12-yl] (E)-3-phenylprop-2-enoate
Molecular Formula	C36H42O8
Molecular Weight	602.7
XLogP	4.2
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Heavy Atom Count	44
Formal Charge	0
Complexity	1220

SMILES

CC1=C2[C@@H](C[C@H]1C3=COC=C3)O[C@H]4[C@@]2([C@@H]([C@]5([C@H](C[C@H]([C@@]6([C@@H]5[C@H]4OC6)C)O)OC(=O)/C=C/C7=CC=CC=C7)C)CC(=O)OC)C

InChI

InChI=1S/C36H42O8/c1-20-23(22-13-14-41-18-22)15-24-30(20)36(4)25(16-29(39)40-5)35(3)27(44-28(38)12-11-21-9-7-6-8-10-21)17-26(37)34(2)19-42-31(32(34)35)33(36)43-24/h6-14,18,23-27,31-33,37H,15-17,19H2,1-5H3/b12-11+/t23-,24-,25-,26-,27+,31-,32+,33-,34-,35+,36-/m1/s1

InChIKey

FCOMMYNXUJVOPV-VSCMBUAFSA-N

Chemical Structure

2D Structure

CAS: 67023-80-7

CID: 102004580

Formula: C36H42O8

MW: 602.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	602.7
XLogP3	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Exact Mass	602.28796829
Monoisotopic Mass	602.28796829
Topological Polar Surface Area	104 Å²
Heavy Atom Count	44
Formal Charge	0
Complexity	1220
Isotope Atom Count	0
Defined Atom Stereocenter Count	11
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS5762882	Ohchinin
GTR19180898	Ohchinin acetate

Ohchinin

Chemical Information

Alternative Products

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