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Viridicatumtoxin

CAT: 0862-GW3857-1mgSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0862-GW3857-1mgSize:1 mg
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CAS Number
39277-41-3
Storage Conditions
-20°C
Hazardous Class
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Chemical Information

Viridicatumtoxin

Viridicatumtoxin is a tetracycline-like polyketide antibiotic that is produced by several species of Penicillium and Aspergillus. It has a role as an antimicrobial agent, an antineoplastic agent, a fungal metabolite and an EC 2.5.1.31 {ditrans,polycis-undecaprenyl-diphosphate synthase [(2E,6E)-farnesyl-diphosphate specific]} inhibitor. It is a tertiary alpha-hydroxy ketone, a primary carboxamide, a polyketide, a polyphenol, a tertiary alcohol, a spiro compound, an enol, an aromatic ether, a secondary alcohol, a cyclic ketone, an enone, an enamide, an organic polycyclic compound and an aromatic ketone.

CAS Number39277-41-3
PubChem CID54686377
IUPAC Name(3'S,4'S,6S,9'S)-3',4',8',9',12',14'-hexahydroxy-16'-methoxy-1,5,5-trimethyl-6',10'-dioxospiro[cyclohexene-6,18'-pentacyclo[11.6.1.02,11.04,9.017,20]icosa-1(20),2(11),7,12,14,16-hexaene]-7'-carboxamide
Molecular FormulaC30H31NO10
Molecular Weight565.6
XLogP2.3
Topological Polar Surface Area208
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count2
Heavy Atom Count41
Formal Charge0
Complexity1290
SMILES
CC1=CCCC([C@@]12CC3=C4C2=C(C=C(C4=C(C5=C3[C@@H]([C@]6(CC(=O)C(=C([C@]6(C5=O)O)O)C(=O)N)O)O)O)O)OC)(C)C
InChI
InChI=1S/C30H31NO10/c1-11-6-5-7-27(2,3)28(11)9-12-16-18(13(32)8-15(41-4)21(16)28)22(34)20-17(12)23(35)29(39)10-14(33)19(26(31)38)24(36)30(29,40)25(20)37/h6,8,23,32,34-36,39-40H,5,7,9-10H2,1-4H3,(H2,31,38)/t23-,28-,29-,30+/m0/s1
InChIKey
FNSQKFOXORBCCC-WBWZXODPSA-N
Chemical Structure
2D Structure
2D structure of Viridicatumtoxin
CAS: 39277-41-3
CID: 54686377
Formula: C30H31NO10
MW: 565.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight565.6
XLogP32.3
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count2
Exact Mass565.19479619
Monoisotopic Mass565.19479619
Topological Polar Surface Area208 Ų
Heavy Atom Count41
Formal Charge0
Complexity1290
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B1976-1Viridicatumtoxin

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