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Manumycin F

CAT: 0931-TN10222-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10222-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
156317-47-4
Target
Antibiotic, Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
Manumycin F exhibits activity against Gram-positive bacteria and Escherichia coli, though it is largely ineffective against other Gram-negative bacteria and shows no antifungal properties. It inhibits RAS farnesyltransferase and demonstrates limited cytotoxicity against the human colon cancer cell line [HCT-116].
Smiles
O=C(C=CC=CC=CC1CCCCC1)NC2=CC(O)(C=CC=CC=CC(=O)NC=3C(=O)CCC3O)C4OC4C2=O
Molecular Formula
C31H34N2O7
Molecular Weight
546.611
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Manumycin F

Manumycin F is a member of cyclohexenones.

CAS Number156317-47-4
PubChem CID10030354
IUPAC Name(2E,4E,6E)-7-cyclohexyl-N-[(5S)-5-hydroxy-5-[(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-7-oxohepta-1,3,5-trienyl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]hepta-2,4,6-trienamide
Molecular FormulaC31H34N2O7
Molecular Weight546.6
XLogP3.5
Topological Polar Surface Area145
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count40
Formal Charge0
Complexity1270
SMILES
C1CCC(CC1)/C=C/C=C/C=C/C(=O)NC2=C[C@](C3C(C2=O)O3)(/C=C/C=C/C=C/C(=O)NC4=C(CCC4=O)O)O
InChI
InChI=1S/C31H34N2O7/c34-23-17-18-24(35)27(23)33-26(37)16-10-3-4-11-19-31(39)20-22(28(38)29-30(31)40-29)32-25(36)15-9-2-1-6-12-21-13-7-5-8-14-21/h1-4,6,9-12,15-16,19-21,29-30,34,39H,5,7-8,13-14,17-18H2,(H,32,36)(H,33,37)/b2-1+,4-3+,12-6+,15-9+,16-10+,19-11+/t29?,30?,31-/m0/s1
InChIKey
SSHVAUUEPNULMP-FAYOCOEBSA-N
Chemical Structure
2D Structure
2D structure of Manumycin F
CAS: 156317-47-4
CID: 10030354
Formula: C31H34N2O7
MW: 546.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight546.6
XLogP33.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass546.23660143
Monoisotopic Mass546.23660143
Topological Polar Surface Area145 Ų
Heavy Atom Count40
Formal Charge0
Complexity1270
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count6
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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