Molecule

Sclerotiotide E

AlkaPlorer ID: AK056233

Synonym: 'Sclerotiotide E'

IUPAC Name: (2E,4E,6E)-N-[(3S,6S,9S)-3,4,7-trimethyl-2,5,8-trioxo-6-propan-2-yl-1,4,7-triazacyclododec-9-yl]octa-2,4,6-trienamide

Structure

SMILES: C/C=C/C=C/C=C/C(O)=N[C@H]1CCCN=C(O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O

InChI: InChI=1S/C23H36N4O4/c1-7-8-9-10-11-14-19(28)25-18-13-12-15-24-21(29)17(4)26(5)23(31)20(16(2)3)27(6)22(18)30/h7-11,14,16-18,20H,12-13,15H2,1-6H3,(H,24,29)(H,25,28)/b8-7+,10-9+,14-11+/t17-,18-,20-/m0/s1

InChIKey: JBIZFCHJQXSVKL-OYWXRWKXSA-N

Reference

JBIR-15, a New Aspochracin Derivative, Isolated from a Sponge-Derived Fungus,<i>Aspergillus sclerotiorum</i>Huber Sp080903f04

PubChem CID: 92448043

LOTUS: LTS0090233

SuperNatural Ⅲ: SN0160911-03

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aspergillus insulicola	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 432.56500000000017

TPSA？: 105.8

MolLogP？: 3.0802000000000014

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi