ID: 100087
SMILES:C1(=O)CC2C(C)(C)Oc3c(cc(C(=O)CCCCC)cc3O)C2C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -13.332
InChIKey:JDVNRHXYMQMIGM-UHFFFAOYSA-N
ID: 100088
SMILES:C1(CCC=C(C)C)(C)Oc2cc(CCCCC)cc(O)c2C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 100089
SMILES:C(C(C)(C)O)(c1cc(O)c(CC=C(C)CC=CC(C)=C)cc1O)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -11.392
InChIKey:CAZBPHLWAMTSOE-UHFFFAOYSA-N
ID: 100090
SMILES:C(CCC)Cc1cc2c(c(O)c1O)C1C(C(C)(C)O2)CC=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.124
InChIKey:LDLSYRKRXRCVEP-UHFFFAOYSA-N
ID: 100091
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1C(C(C)CC1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.026
InChIKey:UWJTXRBBWOXUPZ-UHFFFAOYSA-N
ID: 100092
SMILES:c1(CC)cc(CC=C(C(O)=O)CCC2OC2(C)C)cc(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.386
CB1 binding score: -14.167
InChIKey:NPCYLODQAMWOGZ-UHFFFAOYSA-N
ID: 100093
SMILES:C1(CC=C(C)C)C(C)(C)Oc2c1c(O)cc(CCCCC)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -17.191
InChIKey:MGLWJJVAJQPDLK-UHFFFAOYSA-N
ID: 100094
SMILES:c1(CCCCC)c(O)c2c(c(-c3cc4c(cc3C(C)C)c(O)c(O)c(CC=C(C)C)c4O)c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 598.824
CB1 binding score: -13.689
InChIKey:NPHKAQPRAIZMRE-UHFFFAOYSA-N
ID: 100095
SMILES:O=C(OC1C2C(C)(Oc3c(c(O)cc(CCCCC)c3)C2OC(=O)C)C(OC(=O)C)C2C(CC1C)OC(=O)C2=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 572.651
CB1 binding score: -14.368
InChIKey:CTZPJJBSSOLFBR-UHFFFAOYSA-N
ID: 100096
SMILES:C1C2C(C)(C)Oc3c(cccc3)C(C=C1C(=C)C)C2CC(C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -14.719
InChIKey:XGBVYVLVHBCDJA-UHFFFAOYSA-N
ID: 100097
SMILES:C(CCC)(=O)Oc1cc(C)c(OC(=O)C)c2c1C(C)(CCC=C(C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -16.816
InChIKey:LRGCQNKUFOYZPT-UHFFFAOYSA-N
ID: 100098
SMILES:c1(CCCCC)cc(O)c(CC(=O)O)c2c1OC(CCC=C(C)C)(C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.52
CB1 binding score: -13.817
InChIKey:SIDMYUUDMHNWJT-UHFFFAOYSA-N
ID: 100099
SMILES:C(CCCC)c1cc(O)c(C2C=C(C)CCC2C(=C)C)cc1C(=O)C=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: -13.99
InChIKey:YKEWFWTVJZPLIO-UHFFFAOYSA-N
ID: 100100
SMILES:c1(CCCCC)cc2c(c(O)c1CC=C(CCC=C(C)C)C)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.707
CB1 binding score: -18.414
InChIKey:KEMSRSGKCGXMKO-UHFFFAOYSA-N
ID: 100101
SMILES:C(Cc1cc(C2C=C(C)CCC2C(=C)C)ccc1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 254.417
CB1 binding score: -16.213
InChIKey:CCSCZWQOLMUPOY-UHFFFAOYSA-N
ID: 100102
SMILES:C(CCC)Cc1cc(O)c(CC(C(CC(O)C2C(C)(C)O2)=O)C)c(O)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.482
CB1 binding score: -14.109
InChIKey:DFFZXTVJUZKQIY-UHFFFAOYSA-N
ID: 100103
SMILES:O(C)c1c(CCO)cc(O)c2c1-c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -14.485
InChIKey:RKDKSOALKHEJLJ-UHFFFAOYSA-N
ID: 100104
SMILES:O1C(OC2C(C)(C)Oc3c2c(O)cc(CCCCC)c3)C(O)C(O)C(O)C1CO
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.479
CB1 binding score: -16.608
InChIKey:RZXBJCJCTUFMRB-UHFFFAOYSA-N
ID: 100105
SMILES:C1(C(C)=C)C(c2c(O)cc(CCCC)cc2O)C=C(C(=O)OC)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.438
InChIKey:QCXUCRICCMPCBE-UHFFFAOYSA-N
ID: 100106
SMILES:C1=CCC2=Cc3cc(O)cc(C)c3OC(C)(C)C3CCC1(C)C32
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -11.787
InChIKey:MAQVRODNAMJZAT-UHFFFAOYSA-N
ID: 100107
SMILES:CCC(=O)c1cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -17.19
InChIKey:SEIHJYDQJGVOIG-UHFFFAOYSA-N