Alstorupine A
AlkaPlorer ID: AK015895
Synonym: None
IUPAC Name: None
Structure
SMILES: O=C(C1=CO[C@H]([C@]2(CN3CCC4=C(C3=C([C@@]12[H])C5=C6C7=C(CCN6C[C@@]8([C@@H](OC=C([C@]58[H])C(OC)=O)C)[H])C9=CC=CC=C9N7)NC%10=CC=CC=C4%10)[H])C)OC
InChI: InChI=1S/C42H42N4O6/c1-21-27-17-45-15-13-25-23-9-5-7-11-31(23)43-37(25)39(45)35(33(27)29(19-51-21)41(47)49-3)36-34-28(22(2)52-20-30(34)42(48)50-4)18-46-16-14-26-24-10-6-8-12-32(24)44-38(26)40(36)46/h5-12,19-22,27-28,33-34,43-44H,13-18H2,1-4H3/t21-,22-,27+,28+,33+,34+/m0/s1
InChIKey: CUDSTXQQWRKANS-JQQAJSFVSA-N
Reference
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
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Properties Information
Molecule Weight: 698.8200000000002
TPSA？: 109.11999999999999
MolLogP？: 5.931000000000005
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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