ID: 52690
SMILES:C1(O)C(=C)CC2C(C(C)(C)Oc3cc(CC=C)c(O)c(OC)c32)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -17.792
InChIKey:CSIHKPBCLYDKMW-UHFFFAOYSA-N
ID: 52691
SMILES:c1(OC)c2c(cc(CCCCC)c1)OC(C)(C)C1=CCC(C)=C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -11.418
InChIKey:NDSTUGALJNILFB-UHFFFAOYSA-N
ID: 52692
SMILES:C1(C)=C2CC3C(C)(CC2c2c(O)cc(CCCCC)cc2O3)CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -15.05
InChIKey:UVLCBZXHORXDCH-UHFFFAOYSA-N
ID: 52693
SMILES:c12c(c(O)cc(CCCCC(C)=CBr)c1)OC(C)(C)C1CCC(C)(O)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 437.418
CB1 binding score: -14.104
InChIKey:ARAXXXDPTBCAHU-UHFFFAOYSA-N
ID: 52694
SMILES:c1(C)cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -18.006
InChIKey:SUFPQJMELBBUPW-UHFFFAOYSA-N
ID: 52695
SMILES:CC1=CC2c3c(cc(CO)c(C)c3O)OC3(C(=O)C=C(C(C)C)C2(O)O3)C(c2c(O)cc(CCCCC)cc2OC(C(C)C)=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 634.766
CB1 binding score: -15.456
InChIKey:RYQMWWIPGXIBBU-UHFFFAOYSA-N
ID: 52696
SMILES:c1(CCC(C(=C)C)CC=C(C)C)cc(O)c(CC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -13.916
InChIKey:NCVKTONAYULJEY-UHFFFAOYSA-N
ID: 52697
SMILES:C(C(OC(C)=O)(C)C)=CCC(C)=CCc1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -15.984
InChIKey:HKDMANVSZXBZOG-UHFFFAOYSA-N
ID: 52698
SMILES:C(c1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)C1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -18.162
InChIKey:YJJAQQDUFGCQBU-UHFFFAOYSA-N
ID: 52699
SMILES:C1(=O)C=C(C)C2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)C2C=C(CCC=C1C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.62
CB1 binding score: -15.354
InChIKey:AXRAFOVWXFQSBO-UHFFFAOYSA-N
ID: 52700
SMILES:c1(CCCCC)ccc2c(c1)OC(C)(C)c1c2cccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 280.411
CB1 binding score: -16.295
InChIKey:KMPZNMXZDWMRBS-UHFFFAOYSA-N
ID: 52701
SMILES:C(CC)CCc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 52702
SMILES:OC12C(CCC(=C)C1O)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -16.23
InChIKey:DGLOKXUITLBUKS-UHFFFAOYSA-N
ID: 52703
SMILES:O=C(Oc1cc2c(cc1)OC(C)(C)C1CCC(C)=CCC21C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -15.748
InChIKey:NCPNVBOZLSXYLJ-UHFFFAOYSA-N
ID: 52704
SMILES:c1(O)cc2c(cc1C)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.07
InChIKey:JAQQPODSAWTCBC-UHFFFAOYSA-N
ID: 52705
SMILES:C(C)(C(CCc1cc2c(c(O)c1)C1C(C(C)(CCC=C(C)C)O2)O1)=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.308
InChIKey:PFDSQVJFRJWNME-UHFFFAOYSA-N
ID: 52706
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C(O)(C)CCC=C(C)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -18.732
InChIKey:KEABNGNNOKLMEH-UHFFFAOYSA-N
ID: 52707
SMILES:O=C(c1cc(CCCCC)cc2c1OC(C)(C)C1C2CC(C)=CC1)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -17.013
InChIKey:PTDCSEJSNOUHLP-UHFFFAOYSA-N
ID: 52708
SMILES:C1(C(C)=C)CCC(C)=CC1c1c(O)cc(CCC)o1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -15.661
InChIKey:ALNUTRVEGYRJJV-UHFFFAOYSA-N
ID: 52709
SMILES:CC(=C)C1C(c2c(O)cc(CCCCC)cc2O)CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.129
InChIKey:ZTGXAWYVTLUPDT-UHFFFAOYSA-N
ID: 52710
SMILES:O=Cc1c(O)c(CC=C(CCC=C(C)C)C)c(O)cc1CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 344.495
CB1 binding score: -19.069
InChIKey:ROXSKQXJGMFFHX-UHFFFAOYSA-N