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2D Structure
Also known as: (-)-platensimycin, 835876-32-9, Q3dq78kofy, Chebi:68236, 3-[3-[(1s,5s,6r,7s,9s,10s)-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-5-yl]propanoylamino]-2,4-dihydroxybenzoic acid, Pmn
Molecular Formula
C24H27NO7
Molecular Weight
441.5  g/mol
InChI Key
CSOMAHTTWTVBFL-OFBLZTNGSA-N
FDA UNII
Q3DQ78KOFY

platensimycin is a natural product found in Streptomyces platensis with data available.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-[3-[(1S,5S,6R,7S,9S,10S)-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-5-yl]propanoylamino]-2,4-dihydroxybenzoic acid
2.1.2 InChI
InChI=1S/C24H27NO7/c1-22(7-6-17(28)25-18-14(26)4-3-13(19(18)29)21(30)31)16(27)5-8-24-10-12-9-15(20(22)24)32-23(12,2)11-24/h3-5,8,12,15,20,26,29H,6-7,9-11H2,1-2H3,(H,25,28)(H,30,31)/t12-,15+,20+,22-,23+,24+/m1/s1
2.1.3 InChI Key
CSOMAHTTWTVBFL-OFBLZTNGSA-N
2.1.4 Canonical SMILES
CC12CC34CC1CC(C3C(C(=O)C=C4)(C)CCC(=O)NC5=C(C=CC(=C5O)C(=O)O)O)O2
2.1.5 Isomeric SMILES
C[C@]12C[C@]34C[C@H]1C[C@@H]([C@H]3[C@](C(=O)C=C4)(C)CCC(=O)NC5=C(C=CC(=C5O)C(=O)O)O)O2
2.2 Other Identifiers
2.2.1 UNII
Q3DQ78KOFY
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. (-)-platensimycin

2. 835876-32-9

3. Q3dq78kofy

4. Chebi:68236

5. 3-[3-[(1s,5s,6r,7s,9s,10s)-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-5-yl]propanoylamino]-2,4-dihydroxybenzoic Acid

6. Pmn

7. 3-({3-[(1s,4as,6s,7s,9s,9ar)-1,6-dimethyl-2-oxo-1,2,5,6,7,8,9,9a-octahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic Acid

8. Benzoic Acid, 3-((3-((1s,3s,4s,5as,9s,9ar)-1,4,5,8,9,9a-hexahydro-3,9-dimethyl-8-oxo-3h-1,4:3,5a-dimethano-2-benzoxepin-9-yl)-1-oxopropyl)amino)-2,4-dihydroxy-

9. Unii-q3dq78kofy

10. Platensimycin [mi]

11. Platensimycin, (-)-

12. Chembl411278

13. Dtxsid80894888

14. Zinc29050726

15. Db08407

16. Ncgc00183212-01

17. Hy-127146

18. Cs-0093585

19. C20132

20. Q423275

21. 3-((3-((1s,3s,4s,5as,9s,9ar)-1,4,5,8,9,9a-hexahydro-3,9-dimethyl-8-oxo-3h-1,4:3,5a-dimethano-2-benzoxepin-9-yl)-1-oxopropyl)amino)-2,4-dihydroxybenzoic Acid

2.4 Create Date
2006-06-21
3 Chemical and Physical Properties
Molecular Weight 441.5 g/mol
Molecular Formula C24H27NO7
XLogP32.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass441.17875220 g/mol
Monoisotopic Mass441.17875220 g/mol
Topological Polar Surface Area133 Ų
Heavy Atom Count32
Formal Charge0
Complexity888
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Anti-Infective Agents

Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection. (See all compounds classified as Anti-Infective Agents.)


Fatty Acid Synthesis Inhibitors

Compounds that interfere with FATTY ACID SYNTHASE resulting in a reduction of FATTY ACIDS. This is a target mechanism in humans of some ANTINEOPLASTIC AGENTS and ANTI-OBESITY AGENTS and of some ANTI-INFECTIVE AGENTS which interfere with CELL WALL and CELL MEMBRANE formation. (See all compounds classified as Fatty Acid Synthesis Inhibitors.)