THALICARPINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C41H48N2O8
Molecular Weight	696.8284
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CC3=CC(OC4=C(C[C@@H]5N(C)CCC6=C5C=C(OC)C(OC)=C6)C=C(OC)C(OC)=C4)=C(OC)C=C3C7=C1C(CCN2C)=CC(OC)=C7OC

InChI

InChIKey=ZCTJIMXXSXQXRI-KYJUHHDHSA-N

InChI=1S/C41H48N2O8/c1-42-12-10-23-16-32(44-3)34(46-5)20-27(23)29(42)15-26-19-33(45-4)36(48-7)22-31(26)51-37-18-25-14-30-39-24(11-13-43(30)2)17-38(49-8)41(50-9)40(39)28(25)21-35(37)47-6/h16-22,29-30H,10-15H2,1-9H3/t29-,30-/m0/s1

HIDE SMILES / InChI

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
P-glycoprotein 1 54 Target ID: CHEMBL4302 Sources: Weber, G.F. (2015) Molecular Therapies of Cancer, page 124, retrieved from: https://books.google.ru/books?id=dhs_CgAAQBAJ	Inhibitor 8297
DNA 278 Target ID: CHEMBL2311221 Sources: https://adisinsight.springer.com/drugs/800006857 \| Weber, G.F. (2015) Molecular Therapies of Cancer, page 124, retrieved from: https://books.google.ru/books?id=dhs_CgAAQBAJ	Inhibitor 8297
mitotic G1 phase 1 Target ID: GO:0000080 Sources: Weber, G.F. (2015) Molecular Therapies of Cancer, page 124, retrieved from: https://books.google.ru/books?id=dhs_CgAAQBAJ	Blocker 537
mitotic G2 phase 1 Target ID: GO:0000085 Sources: Weber, G.F. (2015) Molecular Therapies of Cancer, page 124, retrieved from: https://books.google.ru/books?id=dhs_CgAAQBAJ	Blocker 537

PubMed

Title	Date	PubMed
Evaluation of natural products as inhibitors of human immunodeficiency virus type 1 (HIV-1) reverse transcriptase.	1991 Jan-Feb	1710653
The in vitro metabolism of thalicarpine, an aporphine-benzyltetrahydroisoquinoline alkaloid, in the rat. API-MS/MS identification of thalicarpine and metabolites.	2002 Aug 22	12151074
Effect of isoquinoline alkaloids of different structural types on antiplatelet aggregation in vitro.	2006 Oct	16981134

Name

Type

Language

THALICARPINE

Common Name

English

THALICARPINE [MI]

Common Name

English

NSC-68075

Code

English

(6AS)-9-(4,5-DIMETHOXY-2-(((1S)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-1-ISOQUINOLINYL)METHYL)PHENOXY)-5,6,6A,7-TETRAHYDRO-1,2,10-TRIMETHOXY-6-METHYL-4H-DIBENZO(DE,G)QUINOLINE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C932