Tolypocladin A
AlkaPlorer ID: AK118083
Synonym: 'Tolypocladin A'
IUPAC Name: (1S,2R,5S,7S,8R,9R,11S,12S,15S)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-19-(3-methylbut-2-enyl)-6,10-dioxa-24-azaheptacyclo[13.10.0.02,12.05,11.09,11.017,25.018,23]pentacosa-17(25),18,20,22-tetraene-8,12-diol
Structure
SMILES: CC(C)=CCC1=CC=CC2=C1C1=C(N2)[C@@]2(C)[C@@H](CC[C@@]3(O)[C@@]45O[C@@H]4[C@H](O)[C@@H](C(C)(C)O)O[C@H]5CC[C@@]32C)C1
InChI: InChI=1S/C32H43NO5/c1-17(2)10-11-18-8-7-9-21-23(18)20-16-19-12-15-31(36)29(5,30(19,6)25(20)33-21)14-13-22-32(31)27(38-32)24(34)26(37-22)28(3,4)35/h7-10,19,22,24,26-27,33-36H,11-16H2,1-6H3/t19-,22-,24+,26-,27+,29+,30+,31-,32-/m0/s1
InChIKey: RQTDORUGVRDBLB-WQRLADHGSA-N
Reference
Prenylated Indole Diterpene Alkaloids from a Mine-Soil-Derived <i>Tolypocladium</i> sp.
PubChem CID: 145720789
LOTUS: LTS0009270
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Ophiocordycipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 521.6980000000002
TPSA？: 98.24
MolLogP？: 4.468400000000004
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 7