(1R,3S,12S,14R,27S)-12-hydroxy-1,3-dimethyl-2,5,15,23,25-pentaazaheptacyclo[12.10.2.1²,⁵.0⁶,¹¹.0¹⁵,²⁴.0¹⁷,²².0¹²,²⁷]heptacosa-6(11),7,9,17,19,21,23-heptaene-4,16,26-trione
AlkaPlorer ID: AK587476
Synonym: None
IUPAC Name: 12-hydroxy-1,3-dimethyl-2,5,15,23,25-pentazaheptacyclo[12.10.2.12,5.06,11.015,24.017,22.012,27]heptacosa-6,8,10,17,19,21,23-heptaene-4,16,26-trione
Structure
SMILES: CC1C(=O)N2C3=CC=CC=C3C3(O)CC4C(O)=NC(C)(C5=NC6=CC=CC=C6C(=O)N54)N1C23
InChI: InChI=1S/C24H21N5O4/c1-12-19(31)28-16-10-6-4-8-14(16)24(33)11-17-18(30)26-23(2,29(12)22(24)28)21-25-15-9-5-3-7-13(15)20(32)27(17)21/h3-10,12,17,22,33H,11H2,1-2H3,(H,26,30)
InChIKey: YYLAARMDRFESOL-UHFFFAOYSA-N
Reference
Alkaloids from the Marine Isolate of the Fungus Aspergillus fumigatus
PubChem CID: 73810134
LOTUS: LTS0253276
COCONUT: CNP0169481.4
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium lanosum | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 443.4630000000002
TPSA？: 111.26
MolLogP？: 1.7487
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|