PCIDB

KNApSAcK Metabolite C00026649

Metabolite

KNApSAcK Entry

id C00026649
Name Croceaine A
CAS RN 800391-12-2
Standard InChI InChI=1S/C27H32N2O9/c1-35-25(34)16-11-36-26(38-27-24(33)23(32)22(31)18(10-30)37-27)19-13(16)6-7-15(19)20-21-14(8-9-28-20)12-4-2-3-5-17(12)29-21/h2-5,7,11,13,18-20,22-24,26-33H,6,8-10H2,1H3/t13-,18?,19+,20-,22-,23?,24+,26-,27+/m1/s1
Standard InChI (Main Layer) InChI=1S/C27H32N2O9/c1-35-25(34)16-11-36-26(38-27-24(33)23(32)22(31)18(10-30)37-27)19-13(16)6-7-15(19)20-21-14(8-9-28-20)12-4-2-3-5-17(12)29-21/h2-5,7,11,13,18-20,22-24,26-33H,6,8-10H2,1H3

Cluster

Phytochemical cluster No. 4
KCF-S cluster No. 618

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL606760

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Rubiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Palicourea crocea 96250 Rubiaceae asterids Viridiplantae