REBECCAMYCIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H21Cl2N3O7
Molecular Weight	570.378
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CO[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1CO)N2C3=C4NC5=C(C=CC=C5Cl)C4=C6C(=O)NC(=O)C6=C3C7=CC=CC(Cl)=C27

InChI

InChIKey=QEHOIJJIZXRMAN-QZQSLCQPSA-N

InChI=1S/C27H21Cl2N3O7/c1-38-24-13(8-33)39-27(23(35)22(24)34)32-20-10(5-3-7-12(20)29)15-17-16(25(36)31-26(17)37)14-9-4-2-6-11(28)18(9)30-19(14)21(15)32/h2-7,13,22-24,27,30,33-35H,8H2,1H3,(H,31,36,37)/t13-,22-,23-,24-,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H21Cl2N3O7
Molecular Weight	570.378
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
DNA topoisomerase 1 16 Target ID: P11387\|\|\|Q9UJN0 Gene ID: 7150.0 Gene Symbol: TOP1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/14604648 \| https://www.ncbi.nlm.nih.gov/pubmed/9092822	Inhibitor 8297

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:54:58 GMT 2023` Edited by `admin` on `Sat Dec 16 12:54:58 GMT 2023`
Record UNII	Y96MQM21V9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

REBECCAMYCIN

Common Name

English

NSC-359079

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C1904