ID: 58507
SMILES:c1(O)c(C(=O)OC)c(CCCCC)cc(OC)c1CC=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -17.92
InChIKey:XAKJNANHSIAGQQ-UHFFFAOYSA-N
ID: 58508
SMILES:c12c(cc(CCCCC)cc1)OC(C)(C)C1OC(C)(C(O)CC=C(CO)CC2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.575
CB1 binding score: -20.65
InChIKey:VPHKZROWORUSAK-UHFFFAOYSA-N
ID: 58509
SMILES:CC1=CCC2(C)C(C)(CC1C(c1cccc(O)c1)=O)C(O)Oc1c2c(O)cc(CCCCC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.602
CB1 binding score: -15.285
InChIKey:TYHIIZVALBDDAS-UHFFFAOYSA-N
ID: 58510
SMILES:CCCCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.739
InChIKey:WBRXESQKGXYDOL-UHFFFAOYSA-N
ID: 58511
SMILES:C(CC)CCc1cc2c(c(O)c1C=O)CC1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -18.507
InChIKey:RURPVGLMCBORFF-UHFFFAOYSA-N
ID: 58512
SMILES:C(=O)(O)C1=CC2c3c(O)cc(CCCCC)cc3OC2(C)C=CC1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.391
CB1 binding score: -14.701
InChIKey:YGZFQXSXABMZGR-UHFFFAOYSA-N
ID: 58513
SMILES:C12(CC1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -17.388
InChIKey:RKXZJLJFMSUGNO-UHFFFAOYSA-N
ID: 58514
SMILES:CC1(C)C(c2c(O)cc(CCCC)cc2)CC(C)=CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.459
CB1 binding score: -14.655
InChIKey:OSOPHQAXAFWCDI-UHFFFAOYSA-N
ID: 58515
SMILES:C1(C)C(C)(C)OC(c2c(O)cc(CCCCC)cc2)C1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.419
CB1 binding score: Not available
InChIKey:OPWKVXDGANTRDL-UHFFFAOYSA-N
ID: 58516
SMILES:COc1c2c(cc(OC)c1CC=C(CCC=C(C)C)C)C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.625
CB1 binding score: -16.199
InChIKey:USRJTLSTXUCYMU-UHFFFAOYSA-N
ID: 58517
SMILES:C1C(O)C(C)(C)C2C3c4c(cc(CCCCC)cc4O3)OC(C)C2(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -13.68
InChIKey:QCKQLUSDIBKJBH-UHFFFAOYSA-N
ID: 58518
SMILES:c1(CCCCC)cc2c(c(O)c1O)OC(C)(C)C1C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -15.963
InChIKey:OPZUEJNWSPMIMN-UHFFFAOYSA-N
ID: 58519
SMILES:C1(O)Cc2c(cc(O)c3c2CCC2(C)C(C(Br)(C)C(CCC(C)C)OC(C)=O)CCC32O)OC1(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 567.561
CB1 binding score: -15.066
InChIKey:SRBDXHNWJFXFTA-UHFFFAOYSA-N
ID: 58520
SMILES:C1(CCC=C(C)C)(C)Oc2c(c(O)cc(CCCCCC)c2)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -16.936
InChIKey:VOXDBJOUHMBAOR-UHFFFAOYSA-N
ID: 58521
SMILES:C1(C)=CC2C(CC1)C(C)(C)Oc1cc(C)ccc12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.362
CB1 binding score: -19.037
InChIKey:TWNNHTGNOPUEHO-UHFFFAOYSA-N
ID: 58522
SMILES:C(COc1c(CCCCC)cc2c(c1O)C=CC(C)(CCC=C(C)C)O2)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -15.38
InChIKey:VGFWZOARPUUEGB-UHFFFAOYSA-N
ID: 58523
SMILES:C(CCCCOC(=O)c1cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1)CC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -14.455
InChIKey:AKFIJYRAUDVMCG-UHFFFAOYSA-N
ID: 58524
SMILES:C(O)C(CO)Oc1cc(CCCCC)cc(O)c1CC=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.564
CB1 binding score: -11.791
InChIKey:XKWMUCQZIRQKFA-UHFFFAOYSA-N
ID: 58525
SMILES:c1c(CCCCCCC)cc2c(c1)OC1(C)C=CC3C(C)(CCC(C(C)(C)O)O3)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.641
CB1 binding score: -13.805
InChIKey:JXJQRWZOGSJASA-UHFFFAOYSA-N
ID: 58526
SMILES:c1(CCCCC)cc2c(c(O)c1)C1CC(C)(O2)OC1(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -15.623
InChIKey:YOERXBIIQCLZRX-UHFFFAOYSA-N
ID: 58527
SMILES:C(CCCCO)c1cc(O)c2c(c1)OC(C)(C)C1C2CC(O)(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -16.336
InChIKey:PZZVGPICAJPEAI-UHFFFAOYSA-N