Molecule

Hernandezine

AlkaPlorer ID: AK300228

Synonym: Thalicsimine, Thaliximine

IUPAC Name: 9,19,20,21,25-pentamethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18(33),19,21,24,26,31-dodecaene

Structure

SMILES: COC1=CC=C2C=C1OC1=CC=C(C=C1)CC1C3=C(C=C(OC)C(=C3)OC3=C4C(=C(OC)C(OC)=C3OC)CCN(C)C4C2)CCN1C

InChI: InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3

InChIKey: FUZMQNZACIFDBL-UHFFFAOYSA-N

Reference

Isoquinoline Alkaloids from Thalictrum delavayi

PubChem CID: 308359

CAS: 6681-13-6

LOTUS: LTS0184207

COCONUT: CNP0237617.6

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Thalictrum	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Thalictrum hernandezii	Thalictrum	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Thalictrum podocarpum	Thalictrum	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Thalictrum fendleri	Thalictrum	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Thalictrum	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Thalictrum	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 652.7879999999999

TPSA？: 71.09

MolLogP？: 7.171000000000008

Number of H-Donors: 0

Number of H-Acceptors: 9

RingCount: 8

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi