(1S,5S,7R,8S,9R,12R,13S)-14-acetyl-5-hydroxy-9-methyl-4,10-dioxa-14-azapentacyclo[11.7.0.0¹,⁵.0⁷,¹².0¹⁵,²⁰]icosa-15(20),16,18-triene-8-carbaldehyde
AlkaPlorer ID: AK097261
Synonym: None
IUPAC Name: (1S,5S,7R,8S,9R,12R,13S)-14-acetyl-5-hydroxy-9-methyl-4,10-dioxa-14-azapentacyclo[11.7.0.01,5.07,12.015,20]icosa-15,17,19-triene-8-carbaldehyde
Structure
SMILES: CC(=O)N1C2=CC=CC=C2[C@]23CCO[C@@]2(O)C[C@H]2[C@H](C=O)[C@@H](C)OC[C@H]2[C@H]13
InChI: InChI=1S/C21H25NO5/c1-12-15(10-23)14-9-21(25)20(7-8-27-21)17-5-3-4-6-18(17)22(13(2)24)19(20)16(14)11-26-12/h3-6,10,12,14-16,19,25H,7-9,11H2,1-2H3/t12-,14+,15-,16-,19+,20+,21+/m1/s1
InChIKey: UWUHQLNYNJVAQQ-NWOPTMMHSA-N
Reference
An indolinic cryptoalkaloid from Strychnos mattogrossensis
PubChem CID: 14707526
LOTUS: LTS0265479
SuperNatural Ⅲ: SN0382201-01
NPASS: NPC156717
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus tubingensis | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| Orixa japonica | Orixa | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 371.4330000000001
TPSA？: 76.07000000000001
MolLogP？: 1.6383
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|