Molecule

Penniclavine

AlkaPlorer ID: AK002967

Synonym: ''

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

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

InChI: InChI=1S/C16H18N2O2/c1-18-8-16(20,9-19)6-12-11-3-2-4-13-15(11)10(7-17-13)5-14(12)18/h2-4,6-7,14,17,19-20H,5,8-9H2,1H3/t14-,16+/m1/s1

InChIKey: KCHBNRCSCHMJFD-ZBFHGGJFSA-N

PubChem CID: 115247

CAS: 519-13-1

LOTUS: LTS0108497

NPASS: NPC113927

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Claviceps purpurea	Claviceps	Clavicipitaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Callerya cinerea	Callerya	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ipomoea hederacea	Ipomoea	Convolvulaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aconitum pendulum	Aconitum	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ipomoea nil	Ipomoea	Convolvulaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 270.332

TPSA？: 59.49

MolLogP？: 1.1448

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 4

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi