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Chemical structure of Communesin B

GC91532

Communesin B

Also known as (2E,4E)-1-[(2S,6R,14R,22R,25S)-25-[(2R)-3,3-dimethyloxiran-2-yl]-15-methyl-1,3,13,15-tetrazaheptacyclo[18.4.1.02,6.06,22.07,12.014,22.016,21]pentacosa-7,9,11,16,18,20-hexaen-3-yl]hexa-2,4-dien-1-one

Communesin B is an alkaloid that has been found in Penicillium and has anticancer activity

ChemicalCAS148439-46-7MW508.7FormulaC32H36N4O2
CAS number
148439-46-7
Molecular weight
508.7
Formula
C32H36N4O2
Solubility
Dichloromethane: Soluble,DMSO: Soluble,Ethanol: Soluble,Methanol: Soluble
InChIKey
XZFSMUXVAYCHFO-RPCCRITPSA-N
Catalogue number
GC91532
Brand
GLPBIO
Computed properties PubChem CID 44575539 · XLogP 4.9 · TPSA 51.4 Ų · H-bond donors 1
XLogP
4.9
TPSA
51.4 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
38

SMILES C/C=C/C=C/C(=O)N1CC[C@]23[C@H]1N4CC[C@]25[C@H](NC6=CC=CC=C36)N(C7=CC=CC(=C57)[C@H]4[C@@H]8C(O8)(C)C)C

Computed descriptors from PubChem (CID 44575539), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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