Diaporthichalasin
AlkaPlorer ID: AK044573
Synonym: None
IUPAC Name: (1R,2S,5R,6R,7R,10R,12R,13R,16S,18S)-7-hydroxy-7-[(4-hydroxyphenyl)methyl]-2,4,5,16,18,20-hexamethyl-8-azapentacyclo[10.8.0.02,10.06,10.013,18]icosa-3,19-diene-9,11-dione
Structure
SMILES: CC1=C[C@@]2(C)[C@H]3C(C)=C[C@@]4(C)C[C@@H](C)CC[C@@H]4[C@H]3C(=O)[C@]23C(=O)N[C@@](O)(CC2=CC=C(O)C=C2)[C@@H]3[C@H]1C
InChI: InChI=1S/C32H41NO4/c1-17-7-12-23-24-25(19(3)14-29(23,5)13-17)30(6)15-18(2)20(4)26-31(37,16-21-8-10-22(34)11-9-21)33-28(36)32(26,30)27(24)35/h8-11,14-15,17,20,23-26,34,37H,7,12-13,16H2,1-6H3,(H,33,36)/t17-,20-,23+,24+,25-,26-,29+,30-,31+,32+/m0/s1
InChIKey: AEKBQYOSHUYACR-LSRUSGMUSA-N
Reference
Diaporthichalasin, a novel CYP3A4 inhibitor from an endophytic Diaporthe sp.
PubChem CID: 16106517
LOTUS: LTS0074985
SuperNatural Ⅲ: SN0003375-05
{NPAtlas: NPA020002
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Diaporthe sp. | Diaporthe | Diaporthaceae | Diaporthales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 503.6830000000002
TPSA？: 86.63000000000001
MolLogP？: 5.175500000000007
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|