Castamolline
AlkaPlorer ID: AK291810
Synonym: 5-[Tetrahydro-3,4-dihydroxy-5-(hydroxymethyl)-2-furanyl]cyclopenta[c]pyrrole-1,3-diol
IUPAC Name: 5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-hydroxy-2H-cyclopenta[c]pyrrol-3-one
Structure
SMILES: OCC1OC(C2=CC3=C(O)N=C(O)C3=C2)C(O)C1O
InChI: InChI=1S/C12H13NO6/c14-3-7-8(15)9(16)10(19-7)4-1-5-6(2-4)12(18)13-11(5)17/h1-2,7-10,14-16H,3H2,(H2,13,17,18)
InChIKey: ZEJUTGUXYIRRIK-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Castanea mollissima | Castanea | Fagaceae | Fagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 267.237
TPSA？: 122.74
MolLogP？: -0.9260000000000002
Number of H-Donors: 5
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|