13-dehydroxypaxilline
AlkaPlorer ID: AK036826
Synonym: None
IUPAC Name: (1S,2S,5S,7R,14S)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17,19,21-pentaen-8-one
Structure
SMILES: CC(C)(O)[C@H]1O[C@H]2CC[C@@]3(C)C(CC[C@H]4CC5=C(NC6=CC=CC=C56)[C@@]43C)C2=CC1=O
InChI: InChI=1S/C27H33NO3/c1-25(2,30)24-21(29)14-18-19-10-9-15-13-17-16-7-5-6-8-20(16)28-23(17)27(15,4)26(19,3)12-11-22(18)31-24/h5-8,14-15,19,22,24,28,30H,9-13H2,1-4H3/t15-,19?,22-,24-,26-,27+/m0/s1
InChIKey: GYSZYWSJZCKCBD-WZNHOQSJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus striatus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 419.5650000000001
TPSA？: 62.32
MolLogP？: 4.8418000000000045
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|