Shearinine K
AlkaPlorer ID: AK080544
Synonym: None
IUPAC Name: (1S,4R,5S,16S,19S,23R)-19-hydroxy-4,5,24,24-tetramethyl-10,11-bis(3-methylbut-2-enyl)-25,26-dioxa-7-azaheptacyclo[21.2.1.01,20.04,19.05,16.06,14.08,13]hexacosa-6(14),8(13),9,11,20-pentaen-22-one
Structure
SMILES: CC(C)=CCC1=CC2=C(C=C1CC=C(C)C)C1=C(N2)[C@@]2(C)[C@@H](CC[C@@]3(O)C4=CC(=O)[C@@H]5O[C@@]4(CC[C@@]32C)OC5(C)C)C1
InChI: InChI=1S/C37H47NO4/c1-21(2)9-11-23-17-26-27-19-25-13-14-36(40)30-20-29(39)32-33(5,6)42-37(30,41-32)16-15-34(36,7)35(25,8)31(27)38-28(26)18-24(23)12-10-22(3)4/h9-10,17-18,20,25,32,38,40H,11-16,19H2,1-8H3/t25-,32-,34+,35+,36+,37-/m0/s1
InChIKey: SEXKBUMMQJIMIE-TYFNKVGFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium janthinellum | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 569.7860000000003
TPSA？: 71.55
MolLogP？: 7.339700000000009
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | NON-PROTEIN TARGET | Activity | None | None | 10.1021/np060396d |