(4S,5R,6S,7R)-4,5,11-trihydroxy-6-{[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-13,15-dioxa-8-azatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]heptadeca-1(10),2,11,16-tetraen-9-one
AlkaPlorer ID: AK009144
Synonym: None
IUPAC Name: (2S,3R,4S)-2,3,7-trihydroxy-4-[(2R,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,4a,5-tetrahydro-2H-[1,3]dioxolo[4,5-j]phenanthridin-6-one
Structure
SMILES: OCC1O[C@@H](O[C@H]2C3N=C(O)C4=C(O)C5=C(C=C4C3=C[C@H](O)[C@H]2O)OCO5)[C@@H](O)C(O)[C@@H]1O
InChI: InChI=1S/C20H23NO12/c22-3-9-13(25)15(27)16(28)20(32-9)33-18-11-6(1-7(23)12(18)24)5-2-8-17(31-4-30-8)14(26)10(5)19(29)21-11/h1-2,7,9,11-13,15-16,18,20,22-28H,3-4H2,(H,21,29)/t7-,9?,11?,12+,13+,15?,16-,18-,20-/m0/s1
InChIKey: OHMFFIAKCHSDEB-YWGWVDLFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pancratium maritimum | Pancratium | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 469.3990000000001
TPSA？: 211.11999999999995
MolLogP？: -2.8883999999999994
Number of H-Donors: 8
Number of H-Acceptors: 12
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|