acortatarin A
AlkaPlorer ID: AK111621
Synonym: 'pollenopyrroside B'
IUPAC Name: (3S,4'R,5'S)-4'-hydroxy-5'-(hydroxymethyl)spiro[1,4-dihydropyrrolo[2,1-c][1,4]oxazine-3,2'-oxolane]-6-carbaldehyde
Structure
SMILES: O=CC1=CC=C2CO[C@]3(C[C@@H](O)[C@H](CO)O3)CN12
InChI: InChI=1S/C12H15NO5/c14-4-8-1-2-9-6-17-12(7-13(8)9)3-10(16)11(5-15)18-12/h1-2,4,10-11,15-16H,3,5-7H2/t10-,11+,12+/m1/s1
InChIKey: XTXCPGDPIWDLPP-WOPDTQHZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acorus calamus | Acorus | Acoraceae | Acorales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 253.254
TPSA？: 80.92000000000002
MolLogP？: -0.3308000000000002
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|