Cryptocandin
AlkaPlorer ID: AK293257
Synonym: None
IUPAC Name: N-[3-(3-amino-3-oxopropyl)-6-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-15-(1-hydroxyethyl)-26-(hydroxymethyl)-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]hexadecanamide
Structure
SMILES: CCCCCCCCCCCCCCCC(O)=NC1CC(O)C(O)N=C(O)C2C(O)C(CO)CN2C(=O)C(CCC(=N)O)N=C(O)C(C(O)C(O)C2=CC=C(O)C=C2)N=C(O)C2CC(O)CN2C(=O)C(C(C)O)N=C1O
InChI: InChI=1S/C51H82N8O17/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-38(66)53-34-24-36(64)47(72)57-49(74)41-42(67)30(27-60)25-59(41)50(75)33(21-22-37(52)65)54-48(73)40(44(69)43(68)29-17-19-31(62)20-18-29)56-46(71)35-23-32(63)26-58(35)51(76)39(28(2)61)55-45(34)70/h17-20,28,30,32-36,39-44,47,60-64,67-69,72H,3-16,21-27H2,1-2H3,(H2,52,65)(H,53,66)(H,54,73)(H,55,70)(H,56,71)(H,57,74)
InChIKey: GYMNBBQUGVYSCX-UHFFFAOYSA-N
Reference
Cryptocandin, a potent antimycotic from the endophytic fungus Cryptosporiopsis cf. quercina
PubChem CID: 16078330
CAS: 248250-94-4
LOTUS: LTS0018935
COCONUT: CNP0249871.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Cryptosporiopsis | Dermateaceae | Helotiales | Leotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1079.256
TPSA？: 429.72000000000014
MolLogP？: 2.4459700000000084
Number of H-Donors: 16
Number of H-Acceptors: 17
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|