Natural Product: NPC127917

Natural Product ID:  NPC127917
Common Name:   Palmonine B
IUPAC Name:  
Synonyms:  
Molecular Formula:   C26H40O7
Standard InCHIKey:  OZGFSWJUYGOEFE-LBMCJUAKSA-N
Standard InCHI:  InChI=1S/C26H40O7/c1-14(2)19-9-11-25(7,32-17(5)28)23-21-13-15(3)20(30-16(4)27)10-12-26(8,33-18(6)29)24(31-21)22(19)23/h14,19-24H,3,9-13H2,1-2,4-8H3/t19-,20+,21-,22-,23-,24-,25-,26-/m1/s1
Canonical SMILES:  CC(=O)O[C@H]1CC[C@@](C)(OC(=O)C)[C@@H]2O[C@H](CC1=C)[C@@H]1[C@H]2[C@H](CC[C@@]1(C)OC(=O)C)C(C)C
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

  Biological Activity

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC127917 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC127917 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Structure

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External Identifiers

PubChem CID   44559757
ChEMBL   CHEMBL471887
ZINC  

Physicochemical Properties

Molecular Weight:  464.28
ALogP:  0.468
MLogP:  3.55
XLogP:  4.703
# Rotatable Bonds:  14
Polar Surface Area:  88.13
# H-Bond Aceptor:  7
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  33

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Similar NPs/Drugs