Helenalin

• Catalog Number: ACM6754138
• Product Name: Helenalin
• CAS: 6754-13-8
• Category: Heterocyclic Organic Compound
• Synonyms: HELENALIN;(3as-(3aalpha,4alpha,4abeta,7aalpha,8alpha,9aalpha))-ethyl-3-methylene;[3as]-3,3aalpha,4alpha,4a,7aalpha,8,9,9aalpha-octahydro-4-hydroxy-4abeta,8alph;6alpha,8beta-dihydroxy-4-oxoambrosa-2,11(13)-dien-12-oicacid12,8-lactone;a-dimethyl-3-methyleneazuleno[6,5-b]-furan-2,5-dione;ambrosa-2,11(13)-dien-12-oicacid,6-alpha,8-beta-dihydroxy-4-oxo-,12,8-lacton;ambrosa-2,11(13)-dien-12-oicacid,6alpha,8beta-dihydroxy-4-oxo-,12,8-lactone;azuleno(6,5-b)furan-2,5-dione,3,3a,4,4a,7a,8,9,9a-octahydro-4-hydroxy-4a,8-dim
• IUPAC Name: (3aR,5R,5aR,8aR,9S,9aS)-9-hydroxy-5,8a-dimethyl-1-methylidene-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-dione
• Molecular Weight: 262.30
• Molecular Formula: C15H18O4
• Canonical SMILES: CC1CC2C(C(C3(C1C=CC3=O)C)O)C(=C)C(=O)O2
• InChI: InChI=1S/C15H18O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7,9-10,12-13,17H,2,6H2,1,3H3/t7-,9+,10-,12-,13+,15+/m1/s1
• InChI Key: ZVLOPMNVFLSSAA-XEPQRQSNSA-N
• Appearance: Powder

Custom Q&A

What is the molecular formula of Helenalin?

The molecular formula of Helenalin is C15H18O4.

When was Helenalin created and last modified?

Helenalin was created on March 26, 2005, and last modified on December 30, 2023.

What is the role of Helenalin?

Helenalin has a role as an anti-inflammatory agent, an antineoplastic agent, a plant metabolite, and a metabolite.

In which organisms is Helenalin a natural product found?

Helenalin is a natural product found in Pentanema britannicum, Psilostrophe cooperi, and other organisms with data available.

What is the IUPAC name of Helenalin?

The IUPAC name of Helenalin is (3aR,5R,5aR,8aR,9S,9aS)-9-hydroxy-5,8a-dimethyl-1-methylidene-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-dione.

What is the InChIKey of Helenalin?

The InChIKey of Helenalin is ZVLOPMNVFLSSAA-XEPQRQSNSA-N.

What is the Canonical SMILES of Helenalin?

The Canonical SMILES of Helenalin is CC1CC2C(C(C3(C1C=CC3=O)C)O)C(=C)C(=O)O2.

What is the molecular weight of Helenalin?

The molecular weight of Helenalin is 262.30 g/mol.

How many hydrogen bond acceptor counts does Helenalin have?

Helenalin has 4 hydrogen bond acceptor counts.

What is the topological polar surface area of Helenalin?

The topological polar surface area of Helenalin is 63.6 Ų.