piliostigmin

piliostigmin
Compound Structure:
Synonyms: 5-hydroxy-2-(4-hydroxyphenoxy)-7-methoxy-6-methylchromen-4-one
Compound ID: NMPC-1410
PubChem ID:

10615140
Molecular Formula: C17H14O6
Canonical SMILES: CC1=C(C=C2C(=C1O)C(=O)C=C(O2)OC3=CC=C(C=C3)O)OC
InChIKey: ZPMUVYUNMBTMFO-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

314.29 g/mol

XLogP3-AA

3.5

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

6

Rotatable Bond Count

3

Exact Mass

314.07903816 g/mol

Monoisotopic Mass

314.07903816 g/mol

Topological Polar Surface Area

85.2Ų

Heavy Atom Count

23

Formal Charge

0

Complexity

468

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

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: Piliostigma thonningii.
Ficus thonningii
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