Molecule

Integramycin

AlkaPlorer ID: AK042390

Synonym: None

IUPAC Name: 3-[[(1R,2S,4aR,7R,8R,8aR)-2-[[(2S,3S,6R,8R,9S,11S)-2-(3,5-dihydroxyphenyl)-3,9,11-trimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-7-hydroxy-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-hydroxymethylidene]-5-hydroxypyrrolidine-2,4-dione

Structure

SMILES: CC1=C[C@@H]2CC[C@@H](O)[C@H](C)[C@@H]2[C@@H](C(O)=C2C(=O)C(O)N=C2O)[C@@H]1C[C@H]1O[C@@]2(CC[C@H](C)[C@@H](C3=CC(O)=CC(O)=C3)O2)[C@@H](C)C[C@@H]1C

InChI: InChI=1S/C36H49NO9/c1-16-8-9-36(46-33(16)22-12-23(38)14-24(39)13-22)19(4)10-18(3)27(45-36)15-25-17(2)11-21-6-7-26(40)20(5)28(21)29(25)31(41)30-32(42)35(44)37-34(30)43/h11-14,16,18-21,25-29,33,35,38-41,44H,6-10,15H2,1-5H3,(H,37,43)/t16-,18-,19-,20-,21-,25+,26+,27+,28-,29-,33-,35?,36+/m0/s1

InChIKey: GAMYHMPHACRYMO-MHAWJCPTSA-N

Reference

Structure, Stereochemistry, and Biological Activity of Integramycin, a Novel Hexacyclic Natural Product Produced by <i>Actinoplanes</i> sp. that Inhibits HIV-1 Integrase

PubChem CID: 54687418

LOTUS: LTS0175548

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NPAtlas: NPA014542

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Actinoplanes sp.	Actinoplanes	Micromonosporaceae	Micromonosporales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 639.7860000000003

TPSA？: 169.26999999999998

MolLogP？: 5.618100000000007

Number of H-Donors: 6

Number of H-Acceptors: 9

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi