Phomachalasin B
AlkaPlorer ID: AK085161
Synonym: None
IUPAC Name: (1R,3Z,16R,18E,21S,23S,25S)-25-benzyl-7,8,21-trihydroxy-10-methoxy-16,23-dimethyl-22-methylidene-2,12,27-trioxo-26-azapentacyclo[18.7.0.01,24.05,11.06,9]heptacosa-3,5(11),18-triene-6-carboxamide
Structure
SMILES: C=C1[C@@H](C)C2[C@H](CC3=CC=CC=C3)N=C(O)[C@]23C(=O)/C=C\C2=C(C(=O)CCC[C@@H](C)C/C=C/C3[C@@H]1O)C(OC)C1C(O)C(O)C21C(=N)O
InChI: InChI=1S/C38H46N2O8/c1-19-10-8-14-24-31(43)21(3)20(2)29-25(18-22-12-6-5-7-13-22)40-36(47)37(24,29)27(42)17-16-23-28(26(41)15-9-11-19)33(48-4)30-32(44)34(45)38(23,30)35(39)46/h5-8,12-14,16-17,19-20,24-25,29-34,43-45H,3,9-11,15,18H2,1-2,4H3,(H2,39,46)(H,40,47)/b14-8+,17-16-/t19-,20+,24?,25-,29?,30?,31+,32?,33?,34?,37+,38?/m0/s1
InChIKey: QXENAONMUSFVCF-XJUAVTJKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cirsium arvense | Cirsium | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 658.7920000000004
TPSA？: 180.73
MolLogP？: 4.012570000000002
Number of H-Donors: 6
Number of H-Acceptors: 8
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|