Sulpinine A
AlkaPlorer ID: AK062480
Synonym: '', 'Sulpinine A'
IUPAC Name: (1S,2R,5S,7R,8S,9R,11S,12S,15S)-1,2-dimethyl-21-(2-methylbut-3-en-2-yl)-7-prop-1-en-2-yl-6,10-dioxa-24-azaheptacyclo[13.10.0.02,12.05,11.09,11.017,25.018,23]pentacosa-17(25),18(23),19,21-tetraene-8,12-diol
Structure
SMILES: C=CC(C)(C)C1=CC=C2C3=C(NC2=C1)[C@@]1(C)[C@@H](CC[C@@]2(O)[C@@]45O[C@@H]4[C@@H](O)[C@@H](C(=C)C)O[C@H]5CC[C@@]21C)C3
InChI: InChI=1S/C32H41NO4/c1-8-28(4,5)18-9-10-20-21-15-19-11-14-31(35)29(6,30(19,7)26(21)33-22(20)16-18)13-12-23-32(31)27(37-32)24(34)25(36-23)17(2)3/h8-10,16,19,23-25,27,33-35H,1-2,11-15H2,3-7H3/t19-,23-,24-,25+,27+,29+,30+,31-,32-/m0/s1
InChIKey: ODWUQCILJXNGFR-CXUSTFBLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus sulphureus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 503.68300000000033
TPSA？: 78.01
MolLogP？: 5.228500000000005
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|