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

Molecular Formula	C41H48N2O8
Molecular Weight	696.8284
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

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
Membrane effects of the antitumor drugs doxorubicin and thaliblastine: comparison to multidrug resistance modulators verapamil and trans-flupentixol.	2004 Feb	14757496

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:09:06 GMT 2023` Edited by `admin` on `Fri Dec 15 15:09:06 GMT 2023`
Record UNII	8X1D791RF6
Record Status	`Validated (UNII)`
Record Version

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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