2,3,23,23,25,25-hexamethyl-8-(prop-1-en-2-yl)-7,24-dioxa-31-azaoctacyclo[15.14.0.0²,¹?.0³,¹².0?,¹¹.0¹?,³?.0²?,²?.0²²,²?]hentriaconta-1(17),10,18,20(28),26,29-hexaene-9,12-diol
AlkaPlorer ID: AK058566
Synonym: None
IUPAC Name: 2,3,23,23,25,25-hexamethyl-8-prop-1-en-2-yl-7,24-dioxa-31-azaoctacyclo[15.14.0.02,15.03,12.06,11.018,30.020,28.022,27]hentriaconta-1(17),10,18(30),19,26,28-hexaene-9,12-diol
Structure
SMILES: C=C(C)C1OC2CCC3(C)C(O)(CCC4CC5=C(NC6=CC7=C(C=C56)CC5C7=CC(C)(C)OC5(C)C)C43C)C2=CC1O
InChI: InChI=1S/C37H47NO4/c1-19(2)31-29(39)17-27-30(41-31)10-11-35(7)36(8)21(9-12-37(27,35)40)15-24-23-13-20-14-26-25(18-33(3,4)42-34(26,5)6)22(20)16-28(23)38-32(24)36/h13,16-18,21,26,29-31,38-40H,1,9-12,14-15H2,2-8H3
InChIKey: HVLXXQDJGPKVMK-UHFFFAOYSA-N
Reference
Janthitrems B and C, two principal indole-diterpenoids produced by Penicillium janthinellum
PubChem CID: 10460648
LOTUS: LTS0121268
COCONUT: CNP0263361
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium janthinellum | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 569.7860000000003
TPSA？: 74.71000000000001
MolLogP？: 6.696800000000008
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|