Molecule

Penilumamide H

AlkaPlorer ID: AK323095

Synonym: None

IUPAC Name: 2-[[(2S)-2-[(1,3-dimethyl-2,4-dioxopteridine-6-carbonyl)amino]-3-hydroxypropanoyl]amino]benzoic acid

Structure

SMILES: CN1C(=O)C2=NC(C(=O)N[C@@H](CO)C(=O)NC3=CC=CC=C3C(=O)O)=CN=C2N(C)C1=O

InChI: InChI=1S/C19H18N6O7/c1-24-14-13(17(29)25(2)19(24)32)21-11(7-20-14)15(27)23-12(8-26)16(28)22-10-6-4-3-5-9(10)18(30)31/h3-7,12,26H,8H2,1-2H3,(H,22,28)(H,23,27)(H,30,31)/t12-/m0/s1

InChIKey: SWKVVWQFYYWCRZ-LBPRGKRZSA-N

Reference

Antibacterial and NF-κB Inhibitory Lumazine Peptides, Aspochalasin, γ-Butyrolactone Derivatives, and Cyclic Peptides from a Hawaiian <i>Aspergillus flavipes</i>

PubChem CID: 156581104

NPASS: NPC480304

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NPAtlas: NPA029793

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aspergillus flavipes	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 442.3880000000002

TPSA？: 185.51

MolLogP？: -1.5451999999999986

Number of H-Donors: 4

Number of H-Acceptors: 10

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	A2780	Activity	None	None	10.1021/acs.jnatprod.0c00344