Molecule

Verazine

AlkaPlorer ID: AK016661

Synonym: '', 'Epi-verazine'

IUPAC Name: (3S,8R,9R,10R,13S,14R,17R)-10,13-dimethyl-17-[(1S)-1-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Structure

SMILES: C[C@H]1CCC([C@@H](C)[C@H]2CC[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)=NC1

InChI: InChI=1S/C27H43NO/c1-17-5-10-25(28-16-17)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h6,17-18,20-24,29H,5,7-16H2,1-4H3/t17-,18-,20-,21+,22+,23+,24+,26-,27+/m0/s1

InChIKey: VRBNGKPRTHBEIQ-KKZJBSMNSA-N

Reference

PubChem CID: 163075038

NPASS: NPC136073

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
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: 397.6470000000003

TPSA？: 32.59

MolLogP？: 6.433300000000008

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi