Okaramine I
AlkaPlorer ID: AK023334
Synonym: None
IUPAC Name: (1Z,4S,12R,14R,17Z)-12-hydroxy-19,19-dimethyl-3,5,16,21-tetrazaheptacyclo[14.13.0.03,14.04,12.06,11.020,28.022,27]nonacosa-1(29),6,8,10,17,20(28),22,24,26-nonaene-2,15-dione
Structure
SMILES: CC1(C)/C=C\N2C(=O)[C@H]3C[C@@]4(O)C5=CC=CC=C5N[C@H]4N3C(=O)/C2=C/C2=C1NC1=CC=CC=C21
InChI: InChI=1S/C27H24N4O3/c1-26(2)11-12-30-20(13-16-15-7-3-5-9-18(15)28-22(16)26)24(33)31-21(23(30)32)14-27(34)17-8-4-6-10-19(17)29-25(27)31/h3-13,21,25,28-29,34H,14H2,1-2H3/b12-11-,20-13-/t21-,25+,27-/m1/s1
InChIKey: CTRNZLRKISVIAG-LBJKZLEUSA-N
Reference
Okaramines H and I, New Okaramine Congeners, from <i>Aspergillus aculeatus</i>
PubChem CID: 10575622
LOTUS: LTS0132681
NPASS: NPC272174
{NPAtlas: NPA014157
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus aculeatus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 452.5140000000002
TPSA？: 88.67000000000002
MolLogP？: 3.396200000000001
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bombyx mori | Bombyx mori | LD50 | 100.0 | ug | 10.1021/np9802623 |