Chaetominine
AlkaPlorer ID: AK062244
Synonym: None
IUPAC Name: (1S,10S,13R,15S)-1-hydroxy-10-methyl-13-(4-oxoquinazolin-3-yl)-8,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6-triene-9,12-dione
Structure
SMILES: C[C@H]1C(=O)N2C3=CC=CC=C3[C@@]3(O)C[C@@H](N4C=NC5=CC=CC=C5C4=O)C(=O)N1[C@@H]23
InChI: InChI=1S/C22H18N4O4/c1-12-18(27)26-16-9-5-3-7-14(16)22(30)10-17(20(29)25(12)21(22)26)24-11-23-15-8-4-2-6-13(15)19(24)28/h2-9,11-12,17,21,30H,10H2,1H3/t12-,17+,21-,22-/m0/s1
InChIKey: GEURDGODABUDHB-TYTLQBBQSA-N
Reference
Chaetominine, a Cytotoxic Alkaloid Produced by Endophytic <i>Chaetomium</i> sp. IFB-E015
PubChem CID: 16095273
CAS: 918659-56-0
LOTUS: LTS0254292
SuperNatural Ⅲ: SN0103773-05
NPASS: NPC181914
{NPAtlas: NPA015043
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chaetomium sp. | Chaetomium | Chaetomiaceae | Sordariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| None | Chaetomium | Chaetomiaceae | Sordariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 402.41000000000014
TPSA？: 95.74
MolLogP？: 1.1324999999999998
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|