Molecule

Penicitrinine A

AlkaPlorer ID: AK006294

Synonym: None

IUPAC Name: (3S,4R,5R,7R,8S)-4',11-dihydroxy-1',4,7,8,10-pentamethyl-3'-(2-methyloctanoyl)spiro[2,6-dioxatricyclo[7.3.1.05,13]trideca-1(13),9,11-triene-3,5'-pyrrole]-2'-one

Structure

SMILES: CCCCCCC(C)C(=O)C1=C(O)[C@]2(OC3=CC(O)=C(C)C4=C3[C@H](O[C@H](C)[C@H]4C)[C@H]2C)N(C)C1=O

InChI: InChI=1S/C28H39NO6/c1-8-9-10-11-12-14(2)24(31)23-26(32)28(29(7)27(23)33)17(5)25-22-20(35-28)13-19(30)16(4)21(22)15(3)18(6)34-25/h13-15,17-18,25,30,32H,8-12H2,1-7H3/t14?,15-,17-,18-,25-,28+/m1/s1

InChIKey: YSKWCQSQBCPRCU-RSBNGFNNSA-N

Reference

Antitumor Effects and Related Mechanisms of Penicitrinine A, a Novel Alkaloid with a Unique Spiro Skeleton from the Marine Fungus Penicillium citrinum

PubChem CID: 138971038

LOTUS: LTS0000142

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NPAtlas: NPA013306

Source

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

Properties Information

Molecule Weight: 485.62100000000027

TPSA？: 96.3

MolLogP？: 5.448420000000005

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi