Molecule

Not named

AlkaPlorer ID: AK143451

Synonym: None

IUPAC Name: 8-[(2S,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-1-hydroxy-5-methoxy-3-methyl-6-[(3S)-2-oxopiperidin-3-yl]-5H-benzo[b]phenanthridine-7,12-dione

Structure

SMILES: COC1C2=CC(C)=CC(O)=C2C2=C(C(=O)C3=C(O[C@H]4C[C@@H](O)[C@@H](O)[C@H](C)O4)C=CC=C3C2=O)N1[C@H]1CCCN=C1O

InChI: InChI=1S/C30H32N2O9/c1-13-10-16-22(18(33)11-13)24-25(32(30(16)39-3)17-7-5-9-31-29(17)38)28(37)23-15(27(24)36)6-4-8-20(23)41-21-12-19(34)26(35)14(2)40-21/h4,6,8,10-11,14,17,19,21,26,30,33-35H,5,7,9,12H2,1-3H3,(H,31,38)/t14-,17-,19+,21-,26-,30?/m0/s1

InChIKey: MCJNSBWQSXKPCQ-LJTNYANWSA-N

Reference

Isolation of a jadomycin incorporating l-ornithine, analysis of antimicrobial activity and jadomycin reactive oxygen species (ROS) generation in MDA-MB-231 breast cancer cells

PubChem CID: 139589544

LOTUS: LTS0184947

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NPAtlas: NPA021770

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Cancer	Cancridae	Decapoda	Malacostraca	Arthropoda	Metazoa	Eukaryota

Properties Information

Molecule Weight: 564.5910000000002

TPSA？: 158.35

MolLogP？: 2.8059200000000004

Number of H-Donors: 4

Number of H-Acceptors: 10

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi