Molecule

veratramine

AlkaPlorer ID: AK015643

Synonym: '', '(3beta,23beta)-14,15,16,17-tetradehydroveratraman-3,23-diol', 'Veratramine', '20-Isoveratramine'

IUPAC Name: (2S,3R,5S)-2-[(1R)-1-[(3S,6aR,11aS,11bR)-3-hydroxy-10,11b-dimethyl-1,2,3,4,6,6a,11,11a-octahydrobenzo[a]fluoren-9-yl]ethyl]-5-methylpiperidin-3-ol

Structure

SMILES: CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)C2=CC=C1[C@@H](C)[C@@H]1NC[C@@H](C)C[C@H]1O

InChI: InChI=1S/C27H39NO2/c1-15-11-25(30)26(28-14-15)17(3)20-7-8-21-22-6-5-18-12-19(29)9-10-27(18,4)24(22)13-23(21)16(20)2/h5,7-8,15,17,19,22,24-26,28-30H,6,9-14H2,1-4H3/t15-,17+,19-,22-,24-,25+,26-,27-/m0/s1

InChIKey: MALFODICFSIXPO-KOUXDDQNSA-N

Reference

Two New Steroidal Alkaloids, 20-Isoveratramine and Verapatuline, from the Roots and Rhizomes of Veratrum patulum

PubChem CID: 10573587

LOTUS: LTS0148593

SuperNatural Ⅲ: SN0220347-05

NPASS: NPC247622

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Veratrum viride	Veratrum	Melanthiaceae	Liliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Veratrum grandiflorum	Veratrum	Melanthiaceae	Liliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Melicope ternata	Melicope	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Tanacetum parthenium	Tanacetum	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Hohenbuehelia grisea	Hohenbuehelia	Pleurotaceae	Agaricales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 409.6140000000001

TPSA？: 52.49

MolLogP？: 4.594520000000005

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi