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9-Hydroxycanthin-6-one

CAT: 0926-NFA54491-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-NFA54491-01Size:10 mg
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CAS Number
138544-91-9
MDL Number
MFCD21333396
Smiles
CC (=O) N (C) CC1CCCCN1
Molecular Formula
C14H8N2O2
Molecular Weight
236.22 g/mol
Controlled
No

Chemical Information

9-Hydroxycanthin-6-one

9-hydroxycanthin-6-one is an indole alkaloid that is canthin-6-one substituted by a hydroxy group at position 9. Isolated from the roots of Eurycoma longifolia, it exhibits antineoplastic activity. It has a role as a metabolite and an antineoplastic agent. It is an organic heterotetracyclic compound and an indole alkaloid. It is functionally related to a canthin-6-one.

CAS Number138544-91-9
PubChem CID10263500
IUPAC Name1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,11,14-hexaene-2,13-dione
Molecular FormulaC14H8N2O2
Molecular Weight236.22
XLogP0
Topological Polar Surface Area49.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity699
SMILES
C1=CC2=C3C=CNC4=C3N(C2=CC1=O)C(=O)C=C4
InChI
InChI=1S/C14H8N2O2/c17-8-1-2-9-10-5-6-15-11-3-4-13(18)16(14(10)11)12(9)7-8/h1-7,15H
InChIKey
YMNACIYZMIKRMM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9-Hydroxycanthin-6-one
CAS: 138544-91-9
CID: 10263500
Formula: C14H8N2O2
MW: 236.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight236.22
XLogP30
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass236.058577502
Monoisotopic Mass236.058577502
Topological Polar Surface Area49.4 Ų
Heavy Atom Count18
Formal Charge0
Complexity699
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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