ID: 67201
SMILES:O=C1C2=C(C)OC(C)(O)C(C)(C=CC(C(C)C)=O)Oc3c(c(O)cc(CCCCC)c3)C2CC1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 484.633
CB1 binding score: -14.853
InChIKey:XQMDROMWJYKPRE-UHFFFAOYSA-N
ID: 67202
SMILES:C1(CCC(C)=O)C(C)(C)Oc2c1c(O)cc(CCCCC)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -18.167
InChIKey:QSOGTOVBOHNCQA-UHFFFAOYSA-N
ID: 67203
SMILES:C1C2=CC3(c4c(cc(CCCCC)cc4O)OC3(C)CCC(C(=C)C)C2)C=C(c2ccccc2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.681
CB1 binding score: -14.518
InChIKey:MRYIFRPGGLJPEG-UHFFFAOYSA-N
ID: 67204
SMILES:OC1C(O)C(CO)OC(Oc2c(CC=C(CCC=C(C)C)C)c(CCCCC)cc(O)c2)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.626
CB1 binding score: -15.681
InChIKey:UZZVFRCMYHLRIJ-UHFFFAOYSA-N
ID: 67205
SMILES:C(c1c(O)ccc2c1OC(C)(C)C1CC=C(C)CC21)CC(C)(O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -12.127
InChIKey:HDTIBTGHPNVSEN-UHFFFAOYSA-N
ID: 67206
SMILES:C1(C(O)C(C(C)=C)=O)C(C(C)=C)C(c2c(O)cc(O)c(C=O)c2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.444
CB1 binding score: -14.66
InChIKey:HWNJNGXTDRITRM-UHFFFAOYSA-N
ID: 67207
SMILES:C(c1c(O)cc(OC)c2c1OC(CCC=C(C)C)(C)C=C2)CCCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -14.731
InChIKey:SFHUFLXPJITOPG-UHFFFAOYSA-N
ID: 67208
SMILES:CC(CCC1=C(C)C(O)CC(C(=C)C)C1c1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -13.227
InChIKey:QJBFFLYNYDAOKH-UHFFFAOYSA-N
ID: 67209
SMILES:C(CCCCCCCC)CCCCCCC(=O)OCc1cc(OC)c2c(c1C(=O)C(C)C)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 596.893
CB1 binding score: -12.392
InChIKey:IYWSZGXUBQBCNB-UHFFFAOYSA-N
ID: 67210
SMILES:CC(C)(C12CCC(C)=CC1c1c(c(C(OC)=O)c(C)cc1O)O2)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.396
CB1 binding score: -17.714
InChIKey:OTUIVAVMHSFVTL-UHFFFAOYSA-N
ID: 67211
SMILES:C=C1CCCC(C)C(O)C23OC12c1c(O)cc(CCCCC)cc1OC(CCC=C(C)C)(C)C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.678
CB1 binding score: -15.22
InChIKey:JIQSYKQXHMJTGS-UHFFFAOYSA-N
ID: 67212
SMILES:C1(C)=CC2c3c(O)cc(CCCC)cc3OC(C)(C)C2CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.962
InChIKey:MVBUZUVPKJXXNR-UHFFFAOYSA-N
ID: 67213
SMILES:C1(C)=C(CCC(C)=CCc2c(OC(C)=O)c(O)cc(CCCCC)c2O)OC(C)(C)C2CCC(C)(O)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 528.73
CB1 binding score: -13.522
InChIKey:DUBNBNYQQMRDHD-UHFFFAOYSA-N
ID: 67214
SMILES:C(c1cc(OC)c2c(c1)OC(C)(C)C1CC=C(C)CC12)C(C=C)(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -17.401
InChIKey:GMVFGKNWPBVYCK-UHFFFAOYSA-N
ID: 67215
SMILES:C1(C)CC2C(C(=C)C)CC3c4c(O)cc(CCC)cc4OC(OC)(O1)C32
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.502
InChIKey:PZYMDOWBADAMNW-UHFFFAOYSA-N
ID: 67216
SMILES:C1C(C)=CC(c2c(O)ccc(CCC(C)C)c2)C(C(C)=C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -17.434
InChIKey:MPXNQZVWNCSBPY-UHFFFAOYSA-N
ID: 67217
SMILES:Oc1c2c(cc(O)c1CC(O)C(=C)C)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.2
InChIKey:JFJRABICAJBMAN-UHFFFAOYSA-N
ID: 67218
SMILES:C(C1C(C)(C)Oc2cc(CCCCC)c(O)c(-c3ccc(O)cc3)c2C1)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.501
CB1 binding score: -13.82
InChIKey:RCVXJKFCXNGPCK-UHFFFAOYSA-N
ID: 67219
SMILES:O(C(c1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)=O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -17.648
InChIKey:OTFNAKLRKKCSJT-UHFFFAOYSA-N
ID: 67220
SMILES:C1(Sc2c(CC=C(CCC=C(C)C)C)cc(O)cc2)CC(C)(CC=CC(O)(C)C)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.654
CB1 binding score: -11.797
InChIKey:YEDCTNXZRJLSQN-UHFFFAOYSA-N
ID: 67221
SMILES:O1c2c(c(O)cc(CCCCC)c2)C(=O)C1(CC=C(CCC=C(C)C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -16.093
InChIKey:PCWODAFMSDNLDI-UHFFFAOYSA-N