Janthitrem B
AlkaPlorer ID: AK040253
Synonym: ''
IUPAC Name: (2S,3R,6S,8R,9R,12S,15S,21S,22R)-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),10,18,20(28),26,29-hexaene-9,12,21-triol
Structure
SMILES: C=C(C)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4CC5=C(NC6=CC7=C(C=C56)[C@@H](O)[C@H]5C7=CC(C)(C)OC5(C)C)[C@@]43C)C2=C[C@H]1O
InChI: InChI=1S/C37H47NO5/c1-18(2)31-27(39)16-25-28(42-31)10-11-35(7)36(8)19(9-12-37(25,35)41)13-23-21-14-22-20(15-26(21)38-32(23)36)24-17-33(3,4)43-34(5,6)29(24)30(22)40/h14-17,19,27-31,38-41H,1,9-13H2,2-8H3/t19-,27+,28-,29+,30+,31+,35+,36+,37+/m0/s1
InChIKey: FYYNBFCZCKFSKS-QSDHUPEDSA-N
Reference
Janthitrems B and C, two principal indole-diterpenoids produced by Penicillium janthinellum
PubChem CID: 156105
CAS: 73561-90-7
LOTUS: LTS0128572
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium janthinellum | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 585.7850000000002
TPSA？: 94.94
MolLogP？: 6.187700000000008
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|