Communesin I
AlkaPlorer ID: AK035776
Synonym: None
IUPAC Name: (3S)-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]-3-hydroxyhexan-1-one
Structure
SMILES: CCC[C@H](O)CC(=O)N1CC[C@@]23C4=CC=CC=C4N[C@@H]4N(C)C5=CC=CC6=C5[C@@]42CCN([C@@H]13)[C@@H]6[C@H]1OC1(C)C
InChI: InChI=1S/C32H40N4O3/c1-5-9-19(37)18-24(38)35-16-14-31-21-11-6-7-12-22(21)33-28-32(31)15-17-36(29(31)35)26(27-30(2,3)39-27)20-10-8-13-23(25(20)32)34(28)4/h6-8,10-13,19,26-29,33,37H,5,9,14-18H2,1-4H3/t19-,26-,27+,28+,29+,31-,32-/m0/s1
InChIKey: MDCQGUSSMLOSLN-RQIFQPJOSA-N
Reference
Alkaloids with Cardiovascular Effects from the Marine-Derived Fungus Penicillium expansum Y32
PubChem CID: 132137808
LOTUS: LTS0085884
{NPAtlas: NPA001688
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium expansum | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 528.6970000000002
TPSA？: 71.58
MolLogP？: 4.111100000000003
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|