Molecule

Agroclavine; (-)-form, 18-Hydroxy

AlkaPlorer ID: AK283593

Synonym: Elymoclavine

IUPAC Name: None

SMILES: CN1CC(CO)=CC2C3=CC=CC4=C3C(=C[NH2+]4)CC21

InChI: InChI=1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,13,15,17,19H,6,8-9H2,1H3/p+1

InChIKey: DAVNRFCJMIONPO-UHFFFAOYSA-O

CAS: 548-43-6

NPASS: NPC24284

COCONUT: CNP0235643.3

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Claviceps	Clavicipitaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
None	Stictocardia	Convolvulaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Claviceps purpurea	Claviceps	Clavicipitaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Elsholtzia splendens	Elsholtzia	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Argyreia	Convolvulaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ipomoea nil	Ipomoea	Convolvulaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Claviceps	Clavicipitaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota

Molecule Weight: 255.341

TPSA？: 40.08

MolLogP？: 0.956

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 4

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi