Molecule

Isosetoclavin

AlkaPlorer ID: AK003001

Synonym: '', 'Setoclavine', 'Isosetoclavine'

IUPAC Name: (6aR,9S)-7,9-dimethyl-4,6,6a,8-tetrahydroindolo[4,3-fg]quinolin-9-ol

SMILES: CN1C[C@@](C)(O)C=C2C3=CC=CC4=C3C(=CN4)C[C@H]21

InChI: InChI=1S/C16H18N2O/c1-16(19)7-12-11-4-3-5-13-15(11)10(8-17-13)6-14(12)18(2)9-16/h3-5,7-8,14,17,19H,6,9H2,1-2H3/t14-,16+/m1/s1

InChIKey: BGVUWLLRNRBDAY-ZBFHGGJFSA-N

PubChem CID: 11482216

CAS: 519-12-0

LOTUS: LTS0237724

NPASS: NPC90408

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Topsentia ophiraphidites	Topsentia	None	Suberitida	Demospongiae	Porifera	Metazoa	Eukaryota
Erythrina zeyheri	Erythrina	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Geum bulgaricum	Geum	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Adonis amurensis	Adonis	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Claviceps purpurea	Claviceps	Clavicipitaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Prunus avium	Prunus	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Festuca rubra	Festuca	Poaceae	Poales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Phakellia fusca	Phakellia	Axinellidae	Axinellida	Demospongiae	Porifera	Metazoa	Eukaryota

Molecule Weight: 254.333

TPSA？: 39.26

MolLogP？: 2.1724

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 4

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi