124512-47-6
AlkaPlorer ID: AK035770
Synonym: 'Ptilomycalin A', '(-)-Ptilomycalin A'
IUPAC Name: None
Structure
SMILES: CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)CCCCN)[C@]5(CCC[C@@H](C)O5)NC(=N2)N34)O1
InChI: InChI=1S/C45H80N6O5/c1-3-38-24-16-17-28-44(56-38)35-37-26-27-39-41(45(29-21-23-36(2)55-45)49-43(48-44)51(37)39)42(53)54-34-20-14-12-10-8-6-4-5-7-9-11-13-15-25-40(52)50(33-22-31-47)32-19-18-30-46/h16,24,36-39,41H,3-15,17-23,25-35,46-47H2,1-2H3,(H,48,49)/t36-,37+,38+,39-,41-,44+,45-/m1/s1
InChIKey: VTJKGZFFFMXPGP-COYUCOOOSA-N
Reference
Alkaloids from the Sponge <i>Monanchora </i><i>u</i><i>nguifera</i>
PubChem CID: 9810930
LOTUS: LTS0126688
SuperNatural Ⅲ: SN0399560-02
Source
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Properties Information
Molecule Weight: 785.1719999999998
TPSA？: 144.74
MolLogP？: 7.846200000000008
Number of H-Donors: 3
Number of H-Acceptors: 10
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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