Neopestalotin A
AlkaPlorer ID: AK097953
Synonym: None
IUPAC Name: (5Z)-3-[(1S,2R,4aS,6R,8aR)-6-hydroxy-1,3,6-trimethyl-2-[(E)-prop-1-enyl]-2,4a,5,7,8,8a-hexahydronaphthalene-1-carbonyl]-5-ethylidene-4-hydroxypyrrol-2-one
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@](C)(O)CC[C@H]32)=C1O
InChI: InChI=1S/C23H31NO4/c1-6-8-15-13(3)11-14-12-22(4,28)10-9-16(14)23(15,5)20(26)18-19(25)17(7-2)24-21(18)27/h6-8,11,14-16,25,28H,9-10,12H2,1-5H3,(H,24,27)/b8-6+,17-7-/t14-,15-,16-,22-,23-/m1/s1
InChIKey: KGDKEXQNSMWPCR-FBBWCXSBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Neopestalotiopsis sp. | Neopestalotiopsis | Sporocadaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 385.5040000000002
TPSA？: 90.12
MolLogP？: 4.567300000000004
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|