Thiersindole B
AlkaPlorer ID: AK047183
Synonym: 'Thiersindole B', '(+)-Thiersindole B'
IUPAC Name: (3aS,4S,6aS,7R,8S,10aR)-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)=C1CC[C@]2(C)[C@@H](O)CC[C@H]3[C@](C)(CC4=CNC5=CC=CC=C45)[C@@H](C)CC[C@]132
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/t19-,24-,25-,26+,27+,28-/m0/s1
InChIKey: YPVANRVLBISMCS-HCCSKZQKSA-N
Reference
Thiersindoles A−C: New Indole Diterpenoids from <i>Penicillium thiersii</i>
PubChem CID: 11047787
LOTUS: LTS0264275
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 |
|---|