Molecule

1-Deoxypyrromycin

AlkaPlorer ID: AK009840

Synonym: None

IUPAC Name: methyl (1R,2R,4S)-4-[(2S,4S,5R,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate

Structure

SMILES: CC[C@@]1(O)C[C@H](O[C@@H]2C[C@H](N(C)C)[C@@H](O)[C@@H](C)O2)C2=C(O)C3=C(C=C2[C@H]1C(=O)OC)C(=O)C1=CC=CC(O)=C1C3=O

InChI: InChI=1S/C30H35NO10/c1-6-30(38)12-19(41-20-11-17(31(3)4)25(33)13(2)40-20)22-15(24(30)29(37)39-5)10-16-23(28(22)36)27(35)21-14(26(16)34)8-7-9-18(21)32/h7-10,13,17,19-20,24-25,32-33,36,38H,6,11-12H2,1-5H3/t13-,17+,19+,20-,24+,25+,30-/m1/s1

InChIKey: LJZPVWKMAYDYAS-BNSBUQAESA-N

Reference

Antitumor anthracycline antibiotics, aclacinomycin A and analogues. I. Taxonomy, production, isolation and physicochemical properties.

PubChem CID: 100805379

LOTUS: LTS0058350

SuperNatural Ⅲ: SN0207579-13

NPASS: NPC155680

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NPAtlas: NPA004219

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Ambrosia artemisiifolia	Ambrosia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Gypsophila paniculata	Gypsophila	Caryophyllaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Abutilon bidentatum	Abutilon	Malvaceae	Malvales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Rosa henryi	Rosa	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Valeriana alliariifolia	Valeriana	Caprifoliaceae	Dipsacales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 569.6070000000003

TPSA？: 163.06

MolLogP？: 2.158300000000001

Number of H-Donors: 4

Number of H-Acceptors: 11

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi