Sclerotide A
AlkaPlorer ID: AK075509
Synonym: None
IUPAC Name: (4Z,7S,10S,13R,16R)-13-benzyl-7-[(1R)-1-hydroxyethyl]-16-(hydroxymethyl)-4-(1H-indol-3-ylmethylidene)-10-methyl-2,5,8,11,14,17-hexazabicyclo[17.4.0]tricosa-1(23),19,21-triene-3,6,9,12,15,18-hexone
Structure
SMILES: C[C@@H]1N=C(O)[C@@H](CC2=CC=CC=C2)N=C(O)[C@@H](CO)N=C(O)C2=CC=CC=C2N=C(O)/C(=C/C2=CNC3=CC=CC=C23)N=C(O)[C@H]([C@@H](C)O)N=C1O
InChI: InChI=1S/C37H39N7O8/c1-20-32(47)44-31(21(2)46)37(52)42-29(17-23-18-38-26-14-8-6-12-24(23)26)35(50)40-27-15-9-7-13-25(27)33(48)43-30(19-45)36(51)41-28(34(49)39-20)16-22-10-4-3-5-11-22/h3-15,17-18,20-21,28,30-31,38,45-46H,16,19H2,1-2H3,(H,39,49)(H,40,50)(H,41,51)(H,42,52)(H,43,48)(H,44,47)/b29-17-/t20-,21+,28+,30+,31-/m0/s1
InChIKey: NDYHVWGWXSGACG-KSCFPISPSA-N
Reference
Novel Cyclic Hexapeptides from Marine-Derived Fungus, Aspergillus sclerotiorum PT06-1
PubChem CID: 44542828
LOTUS: LTS0049635
{NPAtlas: NPA016514
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus sclerotiorum | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 709.7600000000002
TPSA？: 251.79
MolLogP？: 5.051300000000004
Number of H-Donors: 9
Number of H-Acceptors: 8
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|