Echinulin

Catalog Number	ACM1859876
CAS Number	1859-87-6
Structure
Synonyms	(3S,6S)-3-[[2-(1,1-Dimethylallyl)-5,7-bis(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-6-methyl-piperazine-2,5-quinone
Molecular Weight	461.6
InChI	InChI=1S/C29H39N3O2/c1-9-29(7,8)26-23(16-24-28(34)30-19(6)27(33)31-24)22-15-20(12-10-17(2)3)14-21(25(22)32-26)13-11-18(4)5/h9-11,14-15,19,24,32H,1,12-13,16H2,2-8H3,(H,30,34)(H,31,33)/t19-,24-/m0/s1
InChI Key	DIKMWTRJIZQJMY-CYFREDJKSA-N
Melting Point	242-243 °C
Purity	95%+
Complexity	834
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Exact Mass	461.3042275
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	3
Isomeric SMILES	C[C@H]1C(=O)N[C@H](C(=O)N1)CC2=C(NC3=C(C=C(C=C23)CC=C(C)C)CC=C(C)C)C(C)(C)C=C
Monoisotopic Mass	461.3042275
PhysicalState	Powder
Rotatable Bond Count	8
Topological Polar Surface Area	74 Ų

Custom Q&A

What is the chemical formula of Echinulin?

The chemical formula of Echinulin is C29H39N3O2.

What is the molecular weight of Echinulin?

The molecular weight of Echinulin is 461.64.

What is the melting point of Echinulin?

The melting point of Echinulin is 242-243°C.

What is the boiling point of Echinulin?

The boiling point of Echinulin is predicted to be 695.3±55.0°C.

What is the density of Echinulin?

The density of Echinulin is predicted to be 1.068±0.06 g/cm3.

What is the pka value of Echinulin?

The pka value of Echinulin is 13.05±0.60.

What is the role of Echinulin in fungi?

Echinulin is a diketopiperazine metabolite found in fungi that can lead to liver and lung damage when administered to rabbits at a certain dose.

What receptors does Echinulin have no activity on?

Echinulin has no activity on the δ, κ, or μ-opioid receptors or the cannabinoid CB1 and CB2 receptors.

What is the usage of Echinulin?

Echinulin is a metabolite of diketopiperazine.

What type of compound is Echinulin classified as?

Echinulin is classified as an indole alkaloid and a member of 2,5-diketopiperazines.

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