(E,E)-Methyl-farnesoate

(E,E)-Methyl-farnesoate
Compound Structure:
Synonyms: methyl farnesoate;Methyl (2E,6E)-farnesoate;(2E,6E)-Methyl 3,7,11-trimethyldodeca-2,6,10-trienoate;methyl (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoate;(E,E)-METHYL FARNESOATE
Compound ID: NMPC-054
PubChem ID:

5275508
Molecular Formula: C16H26O2
Canonical SMILES: CC(=CCCC(=CCCC(=CC(=O)OC)C)C)C
InChIKey: NWKXNIPBVLQYAB-VDQVFBMKSA-N
About the compound:

Methyl farnesoate is a member of the juvenile hormone family of compounds, specifically being the methyl ester of farnesoic acid. It is found in several species of crustaceans and serves as a crustacean metabolite. This compound is categorized as a juvenile hormone, enoate ester, and fatty acid methyl ester. Functionally, it is closely related to farnesoic acid. Juvenile hormones like methyl farnesoate play critical roles in regulating various aspects of development and metamorphosis in crustaceans, helping control processes like growth, reproduction, and molting.
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

250.38 g/mol

XLogP3-AA

5.3

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

8

Exact Mass

250.193280068 g/mol

Monoisotopic Mass

250.193280068 g/mol

Topological Polar Surface Area

26.3Ų

Heavy Atom Count

18

Formal Charge

0

Complexity

342

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

2

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem
Source Species: Hyparrhenia rufa
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