Molecule

Spirobrocazine B

AlkaPlorer ID: AK032439

Synonym: None

IUPAC Name: (3S,10aR)-6-hydroxy-10a-methylsulfanylspiro[2,10-dihydropyrazino[1,2-a]indole-3,2'-3H-1-benzofuran]-1,4-dione

Structure

SMILES: CS[C@@]12CC3=CC=CC(O)=C3N1C(=O)[C@@]1(CC3=CC=CC=C3O1)N=C2O

InChI: InChI=1S/C19H16N2O4S/c1-26-19-10-12-6-4-7-13(22)15(12)21(19)17(24)18(20-16(19)23)9-11-5-2-3-8-14(11)25-18/h2-8,22H,9-10H2,1H3,(H,20,23)/t18-,19+/m0/s1

InChIKey: QEJFLMXVVNWJQD-RBUKOAKNSA-N

Reference

Three Diketopiperazine Alkaloids with Spirocyclic Skeletons and One Bisthiodiketopiperazine Derivative from the Mangrove-Derived Endophytic Fungus <i>Penicillium brocae</i> MA-231

PubChem CID: 132600335

LOTUS: LTS0130770

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NPAtlas: NPA001442

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Penicillium brocae	Penicillium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 368.414

TPSA？: 82.36

MolLogP？: 2.642100000000001

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi