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Nimbiol

CAT: 0013-GTR19233593-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19233593-01Size:50 mg
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Description
Nimbiol is a small molecule that binds to the bacterial cell division protein FtsZ, indicating potential as an antibacterial agent. This activity makes it a useful research tool for in vitro studies targeting bacterial cytokinesis and for exploring novel antibiotic mechanisms.
CAS Number
561-95-5
Field of Research
Infectious Disease & Virology
Smiles
C[C@@]12C=3C (C (=O) C[C@]1 (C (C) (C) CCC2) [H]) =CC (C) =C (O) C3
Molecular Formula
C18H24O2
Molecular Weight
272.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(4aS,10aS)-2,3,4,4a,10,10a-Hexahydro-6-hydroxy-1,1,4a,7-tetramethyl-9(1H)-phenanthrenone

Nimbiol has been reported in Crossopetalum gaumeri, Trichilia monadelpha, and Azadirachta indica with data available.

CAS Number561-95-5
PubChem CID11119228
IUPAC Name(4aS,10aS)-6-hydroxy-1,1,4a,7-tetramethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
Molecular FormulaC18H24O2
Molecular Weight272.4
XLogP4.9
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count20
Formal Charge0
Complexity414
SMILES
CC1=CC2=C(C=C1O)[C@]3(CCCC([C@@H]3CC2=O)(C)C)C
InChI
InChI=1S/C18H24O2/c1-11-8-12-13(9-14(11)19)18(4)7-5-6-17(2,3)16(18)10-15(12)20/h8-9,16,19H,5-7,10H2,1-4H3/t16-,18+/m0/s1
InChIKey
XVAVQANUJQBBFF-FUHWJXTLSA-N
Chemical Structure
2D Structure
2D structure of (4aS,10aS)-2,3,4,4a,10,10a-Hexahydro-6-hydroxy-1,1,4a,7-tetramethyl-9(1H)-phenanthrenone
CAS: 561-95-5
CID: 11119228
Formula: C18H24O2
MW: 272.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.4
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass272.177630004
Monoisotopic Mass272.177630004
Topological Polar Surface Area37.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity414
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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