Vermistatin

Vermistatin
Compound Structure:
Synonyms: Vermistatin ;72669-21-7; GX8U4VXD8W ;Fijiensin; (3R)-4,6-dimethoxy-3-[4-oxo-6-[(E)-prop-1-enyl]pyran-3-yl]-3H-2-benzofuran-1-one
Compound ID: NMPC-1591
PubChem ID:

5467588
Molecular Formula: C18H16O6
Canonical SMILES: CC=CC1=CC(=O)C(=CO1)C2C3=C(C=C(C=C3OC)OC)C(=O)O2
InChIKey: YORFGPDHNOBVBM-BDUNBXCCSA-N
About the compound:
Properties:

Computed Properties

Property Name

Property Value

Molecular Weight

328.3 g/mol

XLogP3-AA

2.2

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

6

Rotatable Bond Count

4

Exact Mass

328.09468823 g/mol

Monoisotopic Mass

328.09468823 g/mol

Topological Polar Surface Area

71.1Ų

Heavy Atom Count

24

Formal Charge

0

Complexity

617

Isotope Atom Count

0

Defined Atom Stereocenter Count

1

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

1

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source:PubChem
Source Species: Landolphia owariensis
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