(3S,4S,5S,6S,6aR,10S,12R,15R,15aR,15bR)-3-benzyl-5,6,12,15-tetrahydroxy-4,5,10,12-tetramethyl-2H,3H,4H,6H,6aH,9H,10H,11H,15H,15bH-cycloundeca[e]isoindol-1-one
AlkaPlorer ID: AK436157
Synonym: None
IUPAC Name: (1R,2R,3Z,5R,7S,9Z,11R,12S,13R,14S,15R,16S)-16-benzyl-2,5,12,13-tetrahydroxy-5,7,13,14-tetramethyl-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-18-one
Structure
SMILES: C[C@H]1C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CC=CC=C4)N=C(O)[C@]32[C@H](O)/C=C\[C@](C)(O)C1
InChI: InChI=1S/C28H39NO5/c1-17-9-8-12-20-24(31)27(4,34)18(2)23-21(15-19-10-6-5-7-11-19)29-25(32)28(20,23)22(30)13-14-26(3,33)16-17/h5-8,10-14,17-18,20-24,30-31,33-34H,9,15-16H2,1-4H3,(H,29,32)/b12-8-,14-13-/t17-,18-,20-,21-,22+,23-,24-,26-,27+,28+/m0/s1
InChIKey: KPQRGEZMOJERCR-IIMDGTFYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xylaria hypoxylon | Xylaria | Xylariaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 469.6220000000002
TPSA？: 113.51
MolLogP？: 3.2024000000000017
Number of H-Donors: 5
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|