Dehydrocostus Lactone

Dehydrocostus Lactone
Compound Structure:
Synonyms: (-)-Dehydrocostus lactone; AZULENO(4,5-B)FURAN-2(3H)-ONE, DECAHYDRO-3,6,9-TRIS(METHYLENE)-, (3AS,6AR,9AR,9BS)-; Azuleno(4,5-b)furan-2(3H)-one, decahydro-3,6,9-tris(methylene)-; COSTUS LACTONE, DEHYDRO-; Dehydrocostus-Lactone
Compound ID: NMPC-957
PubChem ID:

73174
Molecular Formula: C15H18O2
Canonical SMILES: C=C1CCC2C(C3C1CCC3=C)OC(=O)C2=C
InChIKey: NETSQGRTUNRXEO-XUXIUFHCSA-N
About the compound:

Dehydrocostus lactone is an organic heterotricyclic compound and guaianolide sesquiterpene lactone that is acrylic acid which is substituted at position 2 by a 4-hydroxy-3,8-bis(methylene)decahydoazulen-5-yl group and in which the hydroxy group and the carboxy group have undergone formal condensation to afford the corresponding gamma-lactone. It has a role as a metabolite, a trypanocidal drug, an antineoplastic agent, a cyclooxygenase 2 inhibitor, an antimycobacterial drug and an apoptosis inducer. It is a sesquiterpene lactone, a guaiane sesquiterpenoid, an organic heterotricyclic compound and a gamma-lactone.
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

230.30 g/mol

XLogP3-AA

2.6

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

0

Exact Mass

230.130679813 g/mol

Monoisotopic Mass

230.130679813 g/mol

Topological Polar Surface Area

26.3Ų

Heavy Atom Count

17

Formal Charge

0

Complexity

432

Isotope Atom Count

0

Defined Atom Stereocenter Count

4

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem
Source Species: Pteris togoensis
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