Structure

Nordihydroguaiaretic acid

CAS
500-38-9
Catalog Number
ACM500389
Category
Inhibitors
Molecular Weight
302.36
Molecular Formula
C18H22O4

If you have any other questions or need other size, please get a quote.

  • Product Description
  • Case Study
  • Custom Reviews
  • Custom Q&A
  • Synthetic Use
  • Related Resources

Specification

Description
Inhibitor of broad bean lipoxygenase. The oxidation product from Resveratrol (R150000) showed a high inhibitory activity, whereas Resveratrol itself had no activity and its oxidation efficiency was low.
Synonyms
1,4-Bis(3,4-dihydroxyphenyl)-2,3-dimethyl-butan
IUPAC Name
4-[4-(3,4-Dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol
Canonical SMILES
CC(CC1=CC(=C(C=C1)O)O)C(C)CC2=CC(=C(C=C2)O)O
InChI
InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3
InChI Key
HCZKYJDFEPMADG-UHFFFAOYSA-N
Boiling Point
363.4 °C
Melting Point
184-186 °C(lit.)
Flash Point
247.8°C
Density
1.0772 g/cm³
Solubility
water, 4.969 mg/L @ 25 °C (est)
Appearance
White to off-white powder
Storage
Inert atmosphere, room temperature
Active Content
95%
Assay
0.99
Complexity
303
EC Number
207-903-0
Exact Mass
302.15180918
Hazard Statements
Xn
MDL Number
MFCD00002206
Monoisotopic Mass
302.15180918
Packaging
25 kg/DRUMS
Physical State
Solid
pKa
9.56±0.10(Predicted)
Refractive Index
1.4230
Safety Description
26-36/37-37/39-24/25-22
Stability
Stable. Incompatible with oxidizing agents.
Storage Conditions
Freezer (-20°C)
Supplemental Hazard Statements
H315-H319-H335-H302
Symbol
GHS07
Topological Polar Surface Area
80.9 Ų
What is the PubChem CID of Nordihydroguaiaretic acid?

PubChem CID 4534

What is the molecular formula of Nordihydroguaiaretic acid?

The molecular formula is C18H22O4.

What is the molecular weight of Nordihydroguaiaretic acid?

The molecular weight is 302.4 g/mol.

What is the IUPAC name of Nordihydroguaiaretic acid?

The IUPAC name is 4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol.

What are the synonyms for Nordihydroguaiaretic acid?

The synonyms include NORDIHYDROGUAIARETIC ACID, NDGA, Dihydronorguaiaretic acid, Actinex, and more.

What is the InChI of Nordihydroguaiaretic acid?

The InChI is InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3.

What is the InChIKey of Nordihydroguaiaretic acid?

The InChIKey is HCZKYJDFEPMADG-UHFFFAOYSA-N.

What are the other identifiers for Nordihydroguaiaretic acid?

The other identifiers include CAS numbers (500-38-9, 27686-84-6, 1413-68-9), ChEMBL ID (CHEMBL52), DSSTox Substance ID (DTXSID5022437), KEGG ID (C10719), and more.

What is the XLogP3-AA value of Nordihydroguaiaretic acid?

The XLogP3-AA value is 4.3.

What is the hydrogen bond donor count of Nordihydroguaiaretic acid?

The hydrogen bond donor count is 4.

Upstream Synthesis Route 1

  • 63-91-2
  • 7400-08-0
  • 500-38-9

Reference: [1] Process Biochemistry, 2011, vol. 46, # 1, p. 418 - 422

Downstream Synthesis Route 1

  • 500-38-9
  • 120-80-9

Reference: [1]Journal of the American Pharmaceutical Association (1912),1948,vol. 37,p. 194

Downstream Synthesis Route 2

  • 186581-53-3
  • 500-38-9
  • 5701-82-6

Reference: [1]Bioscience, Biotechnology and Biochemistry,1992,vol. 56,p. 1162 - 1163

* For details of the synthesis route, please refer to the original source to ensure accuracy.

Alfa Chemistry

For product inquiries, please use our online system or send an email to .

Alfa Chemistry
Inquiry Basket
qrcodex
Download
Verification code
* I hereby give my consent that I may receive marketing e-mails with information on existing and new services from this company. I know that I can opt-out from receiving such e-mails at any time or by using the link which will be provided in each marketing e-mail.