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Chaetoglobosin C

CAT: 0013-GTR19219525-02Size: 50 mgDry Ice: NoHazardous: No
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Description
Chaetoglobosin C is an anthraquinone-chromone natural product isolated from Chaetomium globosum. It demonstrates promising anti-tuberculosis activity in vitro against Mycobacterium tuberculosis, making it a candidate for infectious disease and antimicrobial research.
CAS Number
50645-76-6
Field of Research
Infectious Disease & Virology
Smiles
O=C1[C@]23[C@] ([C@H] (CC=4C=5C (NC4) =CC=CC5) N1) ([C@H] (C) [C@]6 (C) [C@] ([C@@]2 (/C=C/C[C@H] (C) /C=C (\C) /C (=O) C (=O) CCC3=O) [H]) (O6) [H]) [H]
Molecular Formula
C32H36N2O5
Molecular Weight
528.64
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Chaetoglobosin C

(1S,7E,9S,11E,13R,14S,16R,17S,18R,19S)-21-hydroxy-19-(1H-indol-3-ylmethyl)-7,9,16,17-tetramethyl-15-oxa-20-azatetracyclo[11.8.0.0¹,¹⁸.0¹⁴,¹⁶]henicosa-7,11,20-triene-2,5,6-trione has been reported in Chaetomium globosum, Chaetomium, and Calonectria kyotensis with data available.

CAS Number50645-76-6
PubChem CID21603251
IUPAC Name(1R,7E,9S,11E,13R,14S,16R,17S,18R,19S)-19-(1H-indol-3-ylmethyl)-7,9,16,17-tetramethyl-15-oxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-7,11-diene-2,5,6,21-tetrone
Molecular FormulaC32H36N2O5
Molecular Weight528.6
XLogP3.7
Topological Polar Surface Area109
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count39
Formal Charge0
Complexity1140
SMILES
C[C@H]\1C/C=C/[C@H]2[C@H]3[C@](O3)([C@H]([C@@H]4[C@@]2(C(=O)CCC(=O)C(=O)/C(=C1)/C)C(=O)N[C@H]4CC5=CNC6=CC=CC=C65)C)C
InChI
InChI=1S/C32H36N2O5/c1-17-8-7-10-22-29-31(4,39-29)19(3)27-24(15-20-16-33-23-11-6-5-9-21(20)23)34-30(38)32(22,27)26(36)13-12-25(35)28(37)18(2)14-17/h5-7,9-11,14,16-17,19,22,24,27,29,33H,8,12-13,15H2,1-4H3,(H,34,38)/b10-7+,18-14+/t17-,19-,22-,24-,27-,29-,31+,32+/m0/s1
InChIKey
RIZAHVBYKWUPHQ-GNNSKLCBSA-N
Chemical Structure
2D Structure
2D structure of Chaetoglobosin C
CAS: 50645-76-6
CID: 21603251
Formula: C32H36N2O5
MW: 528.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight528.6
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass528.26242225
Monoisotopic Mass528.26242225
Topological Polar Surface Area109 Ų
Heavy Atom Count39
Formal Charge0
Complexity1140
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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