12.3 送测活性

TCMID-19532 Procyanidin

(base) [zjxu@R820 buy]$ grep "Oc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@@H]
(O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c3[C@@H](O)[C@@H]1O)C2" * etcm-compounds-smi.csv:TCMIP-I-33950,Procyanidin,原花青素,Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2 


CAS：20347-71-1

TCMID-26904 Betulinic acid

(base) [zjxu@R820 buy]$ grep "C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C" *
etcm-compounds-smi.csv:TCMIP-I-16629,Betulinic acid,白桦酸,C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12


CAS：472-15-1

TCMID-27473 Glabranin

(base) [zjxu@R820 buy]$ grep "CC(C)=CCc1c(O)cc(O)c2c1O[C@@H](c1ccccc1)CC2=O" * etcm-compounds-smi.csv:TCMIP-I-23988,Glabranin,光甘草宁,CC(C)=CCc1c(O)cc(O)c2c1OC(c1ccccc1)CC2=O 


CAS：41983-91-9



太贵了！不买