Thiersindole B
AlkaPlorer ID: AK583896
Synonym: None
IUPAC Name: 7-(1H-indol-3-ylmethyl)-3a,7,8-trimethyl-1-propan-2-ylidene-3,4,5,6,6a,8,9,10-octahydro-2H-cyclopenta[j]naphthalen-4-ol
Structure
SMILES: CC(C)=C1CCC2(C)C(O)CCC3C(C)(CC4=CNC5=CC=CC=C45)C(C)CCC132
InChI: InChI=1S/C28H39NO/c1-18(2)22-13-14-27(5)25(30)11-10-24-26(4,19(3)12-15-28(22,24)27)16-20-17-29-23-9-7-6-8-21(20)23/h6-9,17,19,24-25,29-30H,10-16H2,1-5H3
InChIKey: YPVANRVLBISMCS-UHFFFAOYSA-N
Reference
Thiersindoles A−C: New Indole Diterpenoids from <i>Penicillium thiersii</i>
PubChem CID: 85379586
CAS: 610317-21-0
LOTUS: LTS0131079
COCONUT: CNP0166328.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium thiersii | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 405.62600000000015
TPSA？: 36.02
MolLogP？: 7.040400000000006
Number of H-Donors: 2
Number of H-Acceptors: 1
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|