Cremimycin

CAT: 0931-TN10012-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-TN10012-02Size:50 mg

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CAS Number

182285-29-6

Target

Antibiotic, Antibacterial

Related Pathways

Microbiology/Virology

Bioactivity

Cremimycin exhibits activity against Gram-positive bacteria, including methicillin-resistant Staphylococcus aureus (MRSA), with a minimum inhibitory concentration (MIC) of 0.2-0.39 μg/mL. Additionally, Cremimycin demonstrates cytotoxic effects on mouse tumor cell lines P388, L1210, IMC, S180, B16, and SS3 in vitro.

Smiles

OC1=C2C(CC1OC3CC(OC)C(O)C(C)O3)C=C(C)C=CC=CC(=O)NC(CCCCCC)CC(=O)CCCC(O)CC2=O

Molecular Formula

C35H53NO9

Molecular Weight

631.797

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Cremimycin

Cremimycin is a glycoside.

CAS Number	182285-29-6
PubChem CID	139587523
IUPAC Name	(2E,4Z,6Z)-10-hexyl-16,20-dihydroxy-21-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-3-methyl-9-azabicyclo[17.3.0]docosa-2,4,6,19-tetraene-8,12,18-trione
Molecular Formula	C35H53NO9
Molecular Weight	631.8
XLogP	4
Topological Polar Surface Area	152
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	8
Heavy Atom Count	45
Formal Charge	0
Complexity	1130

SMILES

CCCCCCC1CC(=O)CCCC(CC(=O)C2=C(C(CC2/C=C(/C=C\C=C/C(=O)N1)\C)O[C@H]3C[C@@H]([C@@H]([C@H](O3)C)O)OC)O)O

InChI

InChI=1S/C35H53NO9/c1-5-6-7-8-13-25-19-26(37)14-11-15-27(38)20-28(39)33-24(17-22(2)12-9-10-16-31(40)36-25)18-30(35(33)42)45-32-21-29(43-4)34(41)23(3)44-32/h9-10,12,16-17,23-25,27,29-30,32,34,38,41-42H,5-8,11,13-15,18-21H2,1-4H3,(H,36,40)/b12-9-,16-10-,22-17+/t23-,24?,25?,27?,29+,30?,32+,34-/m1/s1

InChIKey

RUOAKWFUWPYANU-CBSFPUALSA-N

Chemical Structure

2D Structure

CAS: 182285-29-6

CID: 139587523

Formula: C35H53NO9

MW: 631.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	631.8
XLogP3	4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	8
Exact Mass	631.37203227
Monoisotopic Mass	631.37203227
Topological Polar Surface Area	152 Å²
Heavy Atom Count	45
Formal Charge	0
Complexity	1130
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	3
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
TN10019-01	Cremeomycin

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Catalog	Name
HY-N14144	Cremimycin

Cremimycin

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