Neopestalotin B
AlkaPlorer ID: AK047502
Synonym: None
IUPAC Name: [(2S,4aR,5S,6R,8aS)-5-[(5Z)-5-ethylidene-4-hydroxy-2-oxopyrrole-3-carbonyl]-5,7-dimethyl-6-[(E)-prop-1-enyl]-2,3,4,4a,6,8a-hexahydro-1H-naphthalen-2-yl]methyl acetate
Structure
SMILES: C/C=C1\N=C(O)C(C(=O)[C@]2(C)[C@H](/C=C/C)C(C)=C[C@@H]3C[C@@H](COC(C)=O)CC[C@H]32)=C1O
InChI: InChI=1S/C25H33NO5/c1-6-8-18-14(3)11-17-12-16(13-31-15(4)27)9-10-19(17)25(18,5)23(29)21-22(28)20(7-2)26-24(21)30/h6-8,11,16-19,28H,9-10,12-13H2,1-5H3,(H,26,30)/b8-6+,20-7-/t16-,17+,18+,19+,25+/m0/s1
InChIKey: FZMNHTGGVSHQIJ-PDDBDNDYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Neopestalotiopsis sp. | Neopestalotiopsis | Sporocadaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 427.5410000000003
TPSA？: 96.19
MolLogP？: 4.995600000000005
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|