Sagitol
AlkaPlorer ID: AK312801
Synonym: None
IUPAC Name: N-[2-(2-hydroxy-4-thia-6,9,19-triazapentacyclo[10.7.1.03,7.08,20.013,18]icosa-1(19),3(7),5,8,10,12(20),13,15,17-nonaen-2-yl)ethyl]propanamide
Structure
SMILES: CCC(O)=NCCC1(O)C2=C(N=CS2)C2=NC=CC3=C4C=CC=CC4=NC1=C23
InChI: InChI=1S/C21H18N4O2S/c1-2-15(26)22-10-8-21(27)19-16-13(12-5-3-4-6-14(12)25-19)7-9-23-17(16)18-20(21)28-11-24-18/h3-7,9,11,27H,2,8,10H2,1H3,(H,22,26)
InChIKey: KUCCLEBOZAZSDY-UHFFFAOYSA-N
Reference
Sagitol, a pyridoacridine alkaloid from the sponge Oceanapia sagittaria
PubChem CID: 21774484
CAS: 185543-92-4
LOTUS: LTS0245174
COCONUT: CNP0248017.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Sagittaria | Sagittariidae | Cyrtolophosidida | Colpodea | Ciliophora | None | Eukaryota |
Properties Information
Molecule Weight: 390.4680000000002
TPSA？: 91.49
MolLogP？: 4.212400000000002
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|