(6R,8S,12R,14aR,15S,17aS,17bS)-15-benzyl-6,12-dihydroxy-6,8,13,14-tetramethyl-8H,9H,12H,14aH,15H,16H,17bH-1,3-dioxacyclotrideca[5,4-e]isoindole-2,7,17-trione
AlkaPlorer ID: AK325620
Synonym: None
IUPAC Name: (5E,11E)-18-benzyl-7,14-dihydroxy-7,9,15,16-tetramethyl-2,4-dioxa-19-azatricyclo[11.7.0.01,17]icosa-5,11,15-triene-3,8,20-trione
Structure
SMILES: CC1=C(C)C2C(CC3=CC=CC=C3)N=C(O)C23OC(=O)O/C=C/C(C)(O)C(=O)C(C)C/C=C/C3C1O
InChI: InChI=1S/C28H33NO7/c1-16-9-8-12-20-23(30)18(3)17(2)22-21(15-19-10-6-5-7-11-19)29-25(32)28(20,22)36-26(33)35-14-13-27(4,34)24(16)31/h5-8,10-14,16,20-23,30,34H,9,15H2,1-4H3,(H,29,32)/b12-8+,14-13+
InChIKey: WDDZJZXADGVZLS-KRQHZRJMSA-N
Reference
Characterization of Mycotypha Metabolites Found to be Inhibitors of Cell Adhesion Molecules.
PubChem CID: 139583886
LOTUS: LTS0134451
{NPAtlas: NPA002854
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mycotypha sp. | Mycotypha | Mycotyphaceae | Mucorales | Mucoromycetes | Mucoromycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 495.5720000000002
TPSA？: 125.65000000000002
MolLogP？: 3.832900000000002
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|