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Pyrromycin

CAT: 0804-HY-N14539Size: 1 EachDry Ice: NoHazardous: No
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Description
Pyrromycin is an antibiotic against Gram-positive bacteria[1].
CAS Number
668-17-7
UNSPSC
12352005
Target
Antibiotic; Bacterial
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Smiles
COC([C@@H]([C@](O)(C1)CC)C(C=C2C(C(C3=C(O)C=CC(O)=C3C2=O)=O)=C4O)=C4[C@H]1O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N(C)C)=O
Molecular Formula
C30H35NO11
Molecular Weight
585.60
References & Citations
[1]G Steinheider, et al. Induction of erythroid differentiation by the anthracycline antitumor antibiotic pyrromycin. Cell Biol Toxicol. 1988 Mar;4 (1) :123-33.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Pyrromycin

Pyrromycin is an anthracycline.

CAS Number668-17-7
PubChem CID196990
IUPAC Namemethyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Molecular FormulaC30H35NO11
Molecular Weight585.6
XLogP3.3
Topological Polar Surface Area183
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Heavy Atom Count42
Formal Charge0
Complexity1050
SMILES
CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N(C)C)O
InChI
InChI=1S/C30H35NO11/c1-6-30(39)11-18(42-19-10-15(31(3)4)25(34)12(2)41-19)20-13(24(30)29(38)40-5)9-14-21(27(20)36)28(37)23-17(33)8-7-16(32)22(23)26(14)35/h7-9,12,15,18-19,24-25,32-34,36,39H,6,10-11H2,1-5H3/t12-,15-,18-,19-,24-,25+,30+/m0/s1
InChIKey
ZJBMQVPEJHVSQA-OCYVVMCSSA-N
Chemical Structure
2D Structure
2D structure of Pyrromycin
CAS: 668-17-7
CID: 196990
Formula: C30H35NO11
MW: 585.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight585.6
XLogP33.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Exact Mass585.22101093
Monoisotopic Mass585.22101093
Topological Polar Surface Area183 Ų
Heavy Atom Count42
Formal Charge0
Complexity1050
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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