Cytochalasin O; 18-Epimer, 17-deoxo
AlkaPlorer ID: AK294185
Synonym: Cytochalasin R1
IUPAC Name: (16-benzyl-5,12,13-trihydroxy-5,7,13,14-tetramethyl-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl) acetate
Structure
SMILES: CC(=O)OC1C=CC(C)(O)CC(C)CC=CC2C(O)C(C)(O)C(C)C3C(CC4=CC=CC=C4)N=C(O)C123
InChI: InChI=1S/C30H41NO6/c1-18-10-9-13-22-26(33)29(5,36)19(2)25-23(16-21-11-7-6-8-12-21)31-27(34)30(22,25)24(37-20(3)32)14-15-28(4,35)17-18/h6-9,11-15,18-19,22-26,33,35-36H,10,16-17H2,1-5H3,(H,31,34)
InChIKey: AVASIWUXPVFFGK-UHFFFAOYSA-N
Reference
Cytochalasins from the endophytic fungus Phomopsis sp. cib-109
PubChem CID: 183924
CAS: 108050-27-7
LOTUS: LTS0093011
COCONUT: CNP0146376.3
Source
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Properties Information
Molecule Weight: 511.6590000000002
TPSA？: 119.58
MolLogP？: 3.7732000000000014
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 4
Activities Information
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