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10-Hydroxycanthin-6-one

CAT: 0926-LDA29341-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-LDA29341-03Size:50 mg
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CAS Number
86293-41-6
Smiles
CC1=CC (=NC (=N1) N2CCNCC2) OC.Cl
Molecular Formula
C14H8N2O2
Molecular Weight
236.22 g/mol
Controlled
No

Chemical Information

10-Hydroxycanthin-6-one

10-hydroxycanthin-6-one is an indole alkaloid that is canthin-6-one substituted by a hydroxy group at position 10. Isolated from Simaba multiflora, 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 Number86293-41-6
PubChem CID158929
IUPAC Name12-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
Molecular FormulaC14H8N2O2
Molecular Weight236.22
XLogP2.1
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity409
SMILES
C1=CC2=C(C=C1O)C3=C4N2C(=O)C=CC4=NC=C3
InChI
InChI=1S/C14H8N2O2/c17-8-1-3-12-10(7-8)9-5-6-15-11-2-4-13(18)16(12)14(9)11/h1-7,17H
InChIKey
FZLISVGXWLVEPB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 10-Hydroxycanthin-6-one
CAS: 86293-41-6
CID: 158929
Formula: C14H8N2O2
MW: 236.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight236.22
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass236.058577502
Monoisotopic Mass236.058577502
Topological Polar Surface Area55.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity409
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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