Asperchalasine I
AlkaPlorer ID: AK326738
Synonym: None
IUPAC Name: (1S,2S,4S,7S,8R,9S,12S,19S,20R)-23,24,25-trihydroxy-9,10,14,22-tetramethyl-7-(2-methylpropyl)-27-oxa-6-azahexacyclo[18.6.1.02,19.04,8.04,12.021,26]heptacosa-10,13,21,23,25-pentaene-3,5,18-trione
Structure
SMILES: CC1=C[C@H]2C=C(C)[C@@H](C)[C@H]3[C@H](CC(C)C)N=C(O)[C@@]23C(=O)[C@H]2[C@H](C(=O)CCC1)[C@H]1O[C@@H]2C2=C(O)C(O)=C(O)C(C)=C21
InChI: InChI=1S/C33H41NO7/c1-13(2)10-19-25-16(5)15(4)12-18-11-14(3)8-7-9-20(35)22-24(31(39)33(18,25)32(40)34-19)30-23-21(29(22)41-30)17(6)26(36)28(38)27(23)37/h11-13,16,18-19,22,24-25,29-30,36-38H,7-10H2,1-6H3,(H,34,40)/t16-,18+,19+,22+,24+,25+,29+,30-,33+/m1/s1
InChIKey: DYLSBOBNFXAKMB-PYTVPKQLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mycosphaerella sp. | Mycosphaerella | Mycosphaerellaceae | Mycosphaerellales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 563.6910000000004
TPSA？: 136.65
MolLogP？: 5.938220000000009
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|