Table 1 Natural product library generated from plant constituents caricaceae (Carica Papaya leaf) as well as their various phytochemical constituent as well as the canonical smile generated for each plant constituent.
S/N | Constituents | Canonical Smile String |
---|---|---|
1 | Myricetin 3-rhamnoside | CC1C(C(C(C(O1)OC2 = C(OC3 = CC(= CC(= C3C2 = O)O)O)C4 = CC(= C(C(= C4)O)O)O)O)O)O |
2 | Quercetin | C1 = CC(= C(C = C1C2 = C(C(= O)C3 = C(C = C(C = C3O2) O)O)O)O)O |
3 | Protocatechuic acid | C1 = CC(= C(C = C1C(= O)O)O)O |
4 | Caffeic acid | C1 = CC(= C(C = C1C = CC(= O)O)O)O |
5 | Carpaine | CC1C2CCC(N1)CCCCCCCC(= O)OC3CCC(CCCCCCCC(= O)O2)NC3C |
6 | 2-methoxy-4-vinylphenol | COC1 = C(C = CC(= C1)C = C)O |
7 | Equisetin | CC = CC1C = CC2CC(CCC2C1(C)C(= C3C(= O)C(N(C3 = O)C)CO)O)C |
8 | Tenuazonic acid | CCC(C)C1C(= C(C(= O)N1)C(= O)C)O |
9 | 9-Octadecenamide | CCCCCCCCC = CCCCCCCCC(= O)N |
10 | Prunasin | C1 = CC = C(C = C1)C(C#N)OC2C(C(C(C(O2)CO)O)O)O |
11 | Orientin 7-O-rhamnoside | CC1C(C(C(C(O1)OC2 = C(C3 = C(C(= C2)O)C(= O)C = C(O3)C4 = CC(= C(C = C4)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O)O |
12 | 11-Hydroperoxy-12,13-epoxy-9-octadecenoic acid | CCCCCC1C(O1)C(C = CCCCCCCCC(= O)O)OO |
13 | Hexadecanamide | CCCCCCCCCCCCCCCC(= O)N |
14 | Ferulic acid | COC1 = C(C = CC(= C1)C = CC(= O)O)O |