Structure Database (LMSD)

Common Name
Cytochalasin D
Systematic Name
Synonyms
  • Zygosporin A
LM ID
LMPK11000026
Formula
C30H37NO6
Exact Mass
Calculate m/z
507.262089
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Cytochalasins [PK11]

String Representations

InChiKey (Click to copy)
SDZRWUKZFQQKKV-JHADDHBZSA-N
InChi (Click to copy)
InChI=1S/C30H37NO6/c1-17-10-9-13-22-26(33)19(3)18(2)25-23(16-21-11-7-6-8-12-21)31-28(35)30(22,25)24(37-20(4)32)14-15-29(5,36)27(17)34/h6-9,11-15,17-18,22-26,33,36H,3,10,16H2,1-2,4-5H3,(H,31,35)/b13-9+,15-14+/t17-,18+,22-,23-,24+,25-,26+,29+,30+/m0/s1
SMILES (Click to copy)
[C@@H]1(C)C(=C)[C@@H](O)[C@]2([H])C=CC[C@H](C)C(=O)[C@@](O)(C)C=C[C@@H](OC(=O)C)[C@@]32C(=O)N[C@@H](CC2C=CC=CC=2)[C@]13[H]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Zygosporium masonii (#2075507)
Sordariomycetes (#147550)
Structure of Zygosporin A: X-ray analysis of isozygosporin A p-bromobenzoate,
Chem Comm, 1969
unclassified Tubercularia (#2649785)
Sordariomycetes (#147550)
X-ray crystal structure of cytochalasin D produced by Tubercularia sp., a novel endophytic fungus of Taxus mairei,
J Chem Cryst, 2003

Other Databases

Wikipedia
cytochalasin_D
PubChem CID
5458428
PDB ID
CY9

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 4
Aromatic Rings 1
Rotatable Bonds 4
Van der Waals Molecular Volume 507.20
Topological Polar Surface Area 112.93
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 4.06
Molar Refractivity 141.09

Admin

Created at
17th Dec 2020
Updated at
17th Dec 2020