ID: 13147
SMILES:c1(O)cc(CCCCC)cc2c1-c1occ(C)c1C(=O)C1C(C)(C3CCC(C)(O1)C3O)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.536
CB1 binding score: -15.724
InChIKey:CPWBYEFXGKLMCD-UHFFFAOYSA-N
ID: 13148
SMILES:C1(C)=C2CCC2(C)Oc2cc(c(O)cc2CC=C(CCC=C(C)C)C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.518
CB1 binding score: -14.041
InChIKey:AJLUWFMLVOOSPP-UHFFFAOYSA-N
ID: 13149
SMILES:CC1(CCC=C(C)C)Oc2cc(O)cc(CCC(C)C)c2C=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -15.484
InChIKey:AFTFNWGQPOYPLK-UHFFFAOYSA-N
ID: 13150
SMILES:C1C(C)=CCC2C(C)(C)Oc3c(cccc3)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 228.335
CB1 binding score: -18.418
InChIKey:UEUDZYHJJLDGIZ-UHFFFAOYSA-N
ID: 13151
SMILES:C1(C(C)=C)CCC(C)=CC1c1c(OC)cccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.362
CB1 binding score: -18.382
InChIKey:PIWOIVDTYQHIGV-UHFFFAOYSA-N
ID: 13152
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -15.306
InChIKey:QMKLZUAUVNXRCV-UHFFFAOYSA-N
ID: 13153
SMILES:c1ccc(C2C(C3COc4ccc(CCCCC)cc4O3)C(C(=C)C)CC2)cc1OC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 420.593
CB1 binding score: -12.987
InChIKey:FMDJWPOTTVRRDY-UHFFFAOYSA-N
ID: 13154
SMILES:Cc1c(O)cc2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -19.623
InChIKey:MUNXTPXTGBOZLU-UHFFFAOYSA-N
ID: 13155
SMILES:CC(=O)OC(C(O)(C=C)C)C(c1c(O)c2c(cc1O)OC(C)(C)C1C2C=C(C)CC1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.497
CB1 binding score: -11.542
InChIKey:DLZAERPENBFJTK-UHFFFAOYSA-N
ID: 13156
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.42
CB1 binding score: -15.341
InChIKey:IOCSTYKAVGXAPF-UHFFFAOYSA-N
ID: 13157
SMILES:C1(C)(C)C2CCC(C)=CC2c2cc(O)ccc2O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -20.067
InChIKey:OBJJEVJNCDBGOD-UHFFFAOYSA-N
ID: 13158
SMILES:c1(CC=C(C)CCC=C(C)C)c(O)cc(CCCCC)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 300.486
CB1 binding score: -19.003
InChIKey:KXYIDYXHLDYCQN-UHFFFAOYSA-N
ID: 13159
SMILES:c12c(c(O)cc(CCCCC)c1)OC(C)(C)C(O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.365
CB1 binding score: -16.706
InChIKey:MRMDEXJHAJSPKK-UHFFFAOYSA-N
ID: 13160
SMILES:CC(=O)OC1C2C(C)(C)Oc3c(cccc3)C2C=C(C)CCC2C(C)(C1)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -15.059
InChIKey:FFLTZKIJPKIVRD-UHFFFAOYSA-N
ID: 13161
SMILES:c1(CCC2C(C=O)C(C)C(=C)CC2)cc(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -14.162
InChIKey:VVBOCUZVEBKUIY-UHFFFAOYSA-N
ID: 13162
SMILES:C(CCCC)CCC1=CC2(CC1CC=C(C)C)Oc1c3c(O)cc(C)cc3c(O)cc1CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.647
CB1 binding score: -13.833
InChIKey:CKZJWVJGILEWTE-UHFFFAOYSA-N
ID: 13163
SMILES:c1(CCCCC)cc2c(c(O)c1)C=CC(C)(CCC=C(C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 13164
SMILES:C1C(C)=CC(c2c(O)cc3c(c2O)cc(CCCCC)c(C(=O)O)c3O)C(C)(C)C1CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 480.645
CB1 binding score: -14.605
InChIKey:XNUGODFBYXUADF-UHFFFAOYSA-N
ID: 13165
SMILES:C12(C)C(CCC(C)=CCOC(=O)CCc3ccc(O)c(OC)c3)C(C)(O1)CCC2C(=C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.596
CB1 binding score: -16.003
InChIKey:WVHLVFWNRUJFQD-UHFFFAOYSA-N
ID: 13166
SMILES:C(CC)(C)CC(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)CC1)S
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.579
CB1 binding score: -12.288
InChIKey:UCUCJLNQMKOGIP-UHFFFAOYSA-N
ID: 13167
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.487
CB1 binding score: -19.108
InChIKey:KCGRQTUOQYSEJY-UHFFFAOYSA-N