Structure Database (LMSD)

Common Name
Cytochalasin O
Systematic Name
Synonyms
LM ID
LMPK11000035
Formula
C28H37NO4
Exact Mass
Calculate m/z
451.272259
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Diaporthe longicolla (#54899)
Sordariomycetes (#147550)
Six new 10-pheynl-[11]cytochalasans, cytochalasins N - S from phomopsis SP.,
Tetrahedron, 1989

String Representations

InChiKey (Click to copy)
UMHVFKLUODBPSC-USMISTALSA-N
InChi (Click to copy)
InChI=1S/C28H37NO4/c1-17-9-8-12-21-25(31)19(3)18(2)24-22(15-20-10-6-5-7-11-20)29-26(32)28(21,24)23(30)13-14-27(4,33)16-17/h5-8,10-14,17,21-25,30-31,33H,9,15-16H2,1-4H3,(H,29,32)/b12-8+,14-13+/t17-,21-,22-,23+,24-,25+,27-,28+/m0/s1
SMILES (Click to copy)
C1(C)=C(C)[C@@H](O)[C@]2([H])C=CC[C@H](C)C[C@@](C)(O)C=C[C@@H](O)[C@@]32C(=O)N[C@@H](CC2C=CC=CC=2)[C@]13[H]

Other Databases

PubChem CID
13892287

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 4
Aromatic Rings 1
Rotatable Bonds 2
Van der Waals Molecular Volume 460.30
Topological Polar Surface Area 89.79
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 4.46
Molar Refractivity 131.23

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Created at
13th Jan 2026
Updated at
13th Jan 2026