Molecule

Pyrrolocin A

AlkaPlorer ID: AK085208

Synonym: None

IUPAC Name: (5R)-3-[[(1R,2S,4aR,6S,8aS)-2-[(1E,3E,6R)-6-hydroxyhepta-1,3-dienyl]-1,3,6-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione

Structure

SMILES: CC1=C[C@H]2C[C@@H](C)CC[C@@H]2[C@@](C)(C(O)=C2C(=O)[C@@H](CO)N(C)C2=O)[C@H]1/C=C/C=C/C[C@@H](C)O

InChI: InChI=1S/C27H39NO5/c1-16-11-12-21-19(13-16)14-17(2)20(10-8-6-7-9-18(3)30)27(21,4)25(32)23-24(31)22(15-29)28(5)26(23)33/h6-8,10,14,16,18-22,29-30,32H,9,11-13,15H2,1-5H3/b7-6+,10-8+,25-23?/t16-,18+,19+,20-,21-,22+,27-/m0/s1

InChIKey: RUDFCMBSRYCHQQ-VGJVPRSTSA-N

Reference

Isolation of Pyrrolocins A–C: <i>cis</i>- and <i>trans</i>-Decalin Tetramic Acid Antibiotics from an Endophytic Fungal-Derived Pathway

PubChem CID: 101889884

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NPAtlas: NPA008218

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Erica	Salticidae	Araneae	Arachnida	Arthropoda	Metazoa	Eukaryota

Properties Information

Molecule Weight: 457.6110000000002

TPSA？: 98.07

MolLogP？: 3.7186000000000026

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi