Molecule

Pyrrolocin B

AlkaPlorer ID: AK032349

Synonym: None

IUPAC Name: (5R)-3-[[(1R,2R,4aS,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)pyrrolidine-2,4-dione

Structure

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

InChI: InChI=1S/C26H37NO5/c1-15-10-11-20-18(12-15)13-16(2)19(9-7-5-6-8-17(3)29)26(20,4)24(31)22-23(30)21(14-28)27-25(22)32/h5-7,9,13,15,17-21,28-29,31H,8,10-12,14H2,1-4H3,(H,27,32)/b6-5+,9-7+,24-22?/t15-,17+,18-,19+,20-,21+,26-/m0/s1

InChIKey: FJSDCBCMOLWEOW-VGFYQSIFSA-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: 139583494

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NPAtlas: NPA001436

Source

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

Properties Information

Molecule Weight: 443.5840000000002

TPSA？: 106.86

MolLogP？: 3.3764000000000025

Number of H-Donors: 4

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi