Molecule

Benzanthrin A

AlkaPlorer ID: AK058806

Synonym: None

IUPAC Name: 2-[(2S,4S,5R,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-1-[(2R,4S,5R,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,8-dihydroxy-3-methylbenzo[a]anthracene-7,12-dione

Structure

SMILES: CC1=CC2=CC(O)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2C(O[C@@H]2C[C@H](N(C)C)[C@@H](O)[C@@H](C)O2)=C1[C@@H]1C[C@H](N(C)C)[C@@H](O)[C@H](C)O1

InChI: InChI=1S/C35H42N2O9/c1-15-11-18-12-23(39)29-30(33(42)19-9-8-10-22(38)28(19)34(29)43)27(18)35(46-25-14-21(37(6)7)32(41)17(3)45-25)26(15)24-13-20(36(4)5)31(40)16(2)44-24/h8-12,16-17,20-21,24-25,31-32,38-41H,13-14H2,1-7H3/t16-,17+,20-,21-,24-,25+,31-,32-/m0/s1

InChIKey: LEUWPSNVHJODDS-YFQYZNHFSA-N

Reference

Benzanthrins A and B, a new class of quinone antibiotics. II Isolation, elucidation of structure and potential antitumor activity.

PubChem CID: 139589001

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NPAtlas: NPA020836

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Lurida	Hesperiidae	Lepidoptera	Insecta	Arthropoda	Metazoa	Eukaryota

Properties Information

Molecule Weight: 634.7260000000003

TPSA？: 149.23

MolLogP？: 3.2806200000000025

Number of H-Donors: 4

Number of H-Acceptors: 11

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi