Shearinine B
AlkaPlorer ID: AK106430
Synonym: None
IUPAC Name: (2S,3R,6S,8R,12S,15S)-12-hydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,24-dioxa-31-azaoctacyclo[15.14.0.02,15.03,12.06,11.018,30.020,28.022,27]hentriaconta-1(17),10,18(30),19,26,28-hexaen-9-one
Structure
SMILES: CC1(C)C=C2C3=C(C=C4C5=C(NC4=C3)[C@@]3(C)[C@@H](CC[C@@]4(O)C6=CC(=O)[C@@H](C(C)(C)O)O[C@H]6CC[C@@]43C)C5)CC2C(C)(C)O1
InChI: InChI=1S/C37H47NO5/c1-32(2)18-24-21-16-27-22(13-19(21)14-25(24)34(5,6)43-32)23-15-20-9-12-37(41)26-17-28(39)31(33(3,4)40)42-29(26)10-11-35(37,7)36(20,8)30(23)38-27/h13,16-18,20,25,29,31,38,40-41H,9-12,14-15H2,1-8H3/t20-,25?,29-,31-,35+,36+,37+/m0/s1
InChIKey: JNCCSFRDVVNJKT-DPCVKTSXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium miczynskii | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 585.7850000000002
TPSA？: 91.78
MolLogP？: 6.099800000000006
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|