UNPD113695
AlkaPlorer ID: AK115097
Synonym: None
IUPAC Name: (1R,2S,12R,13R,15S)-1,2-dihydroxy-7-methoxy-10-(3-methylbut-2-enyl)-12-(2-methylprop-1-enyl)-10,19-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraene-14,20-dione
Structure
SMILES: COC1=CC=C2C3=C([C@H](C=C(C)C)[C@H]4C(=O)[C@@H]5CCCN5C(=O)[C@]4(O)[C@H]3O)N(CC=C(C)C)C2=C1
InChI: InChI=1S/C28H34N2O5/c1-15(2)10-12-29-21-14-17(35-5)8-9-18(21)22-24(29)19(13-16(3)4)23-25(31)20-7-6-11-30(20)27(33)28(23,34)26(22)32/h8-10,13-14,19-20,23,26,32,34H,6-7,11-12H2,1-5H3/t19-,20+,23+,26+,28-/m1/s1
InChIKey: KGGKDBGWQMLMND-KCZDIRIGSA-N
Reference
Alkaloids from Aspergillus caespitosus
PubChem CID: 162975835
LOTUS: LTS0267587
SuperNatural Ⅲ: SN0184821-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus caespitosus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 478.5890000000002
TPSA？: 92.0
MolLogP？: 3.6339000000000015
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|