ID: 39208
SMILES:C(C)(CCC=C(CCC=C(C)C)C)=CCc1c(O)cc(CCCCCO)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 400.603
CB1 binding score: -16.782
InChIKey:ZKKSUUGHFOIVDB-UHFFFAOYSA-N
ID: 39209
SMILES:CC(C)=CCCC(C1=CC(c2c(O)c(C(OC)=O)c(O)c(CCCCC)c2)C(C)CC1)C(O)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.622
CB1 binding score: -10.202
InChIKey:BXTPQMONOLVZLT-UHFFFAOYSA-N
ID: 39210
SMILES:C(=C(C)CCC=C(C)C)Cc1c(O)c(C(=O)O)c2c(O)cc(CCCCC)cc2c1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.553
CB1 binding score: -13.14
InChIKey:DQTZFLDRTSORCU-UHFFFAOYSA-N
ID: 39211
SMILES:C1=C(C)CCOc2cc(CCCCC)cc(O)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -15.633
InChIKey:LWRXPCPLTXBNFD-UHFFFAOYSA-N
ID: 39212
SMILES:C1(C)(C)C2=C(c3c(cc(CCCCC)cc3O)OC2)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -15.058
InChIKey:IFHSBULZOCOFBZ-UHFFFAOYSA-N
ID: 39213
SMILES:c12c(c(OCC(=O)O)cc(CCCCC)c1)C=CC(CCC=C(C)C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -15.427
InChIKey:ASSIVVJJUSNKMY-UHFFFAOYSA-N
ID: 39214
SMILES:C(c1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(CO)=C1)COC(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.423
CB1 binding score: -14.432
InChIKey:HYMSWAWSJPRYLY-UHFFFAOYSA-N
ID: 39215
SMILES:c1(CCCCCC)cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 39216
SMILES:CC1(C)C2C(=O)C=C(C)CC2c2c(cc(C)cc2O)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.344
CB1 binding score: -16.853
InChIKey:XBHAYMZVVIBAMR-UHFFFAOYSA-N
ID: 39217
SMILES:O=C(c1ccc2c(c1)OC(C)(C)C1CCC(C)=CC21)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.344
CB1 binding score: -18.929
InChIKey:JHTLXLYXVMDBFT-UHFFFAOYSA-N
ID: 39218
SMILES:c1(CCCCC)cc2oc(=O)c(C3CC(C)=CC(O)C3C(C)=C)cc2OC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.516
CB1 binding score: -16.015
InChIKey:IQHJEXGWIZPURG-UHFFFAOYSA-N
ID: 39219
SMILES:C(CCc1cc(OC)c2c(c1)OC(C)(C)C1=C2C(O)C(C)(OC(=O)c2cc(OC)c(OC)c(OC)c2)CC1)(CC)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 568.707
CB1 binding score: -15.116
InChIKey:ILJFFUBGQVBJGI-UHFFFAOYSA-N
ID: 39220
SMILES:C(=CC)(c1cc2c(c(O)c1OC)OC(C)(C)C1C2C=C(C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.745
InChIKey:XRNJWUGKDQZHKW-UHFFFAOYSA-N
ID: 39221
SMILES:C(CCCc1cc(O)c2c(c1)C1C(C)(CCC1C(C)=C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.337
InChIKey:GJPMURZBACNBLG-UHFFFAOYSA-N
ID: 39222
SMILES:c1(CCCCCC)cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 39223
SMILES:C1CC2(C)C1C(C)(C)Oc1c(O)c(CC(O)C(O)(C)C)cc(O)c12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 336.428
CB1 binding score: -16.674
InChIKey:LMSXZARMKSQXHV-UHFFFAOYSA-N
ID: 39224
SMILES:c1(C(C)CCC=C(C)C)c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 290.447
CB1 binding score: -17.404
InChIKey:LIFOCERVKVJSNG-UHFFFAOYSA-N
ID: 39225
SMILES:c12c(c(O)cc(CCCCC)c1O)CC1C(=C)C(C)(C)C1C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.406
InChIKey:PIBNCIBOWCCMTL-UHFFFAOYSA-N
ID: 39226
SMILES:c12c(ccc(CCCCC)c1)cc(O)c1c2OC(C)(C)C(O)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -15.315
InChIKey:IJBBFSZPAHTGMB-UHFFFAOYSA-N
ID: 39227
SMILES:CC1(C)C(CC=C(C)C)CC(C)=CC1c1cc(CC=C(C)C)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.697
CB1 binding score: -15.034
InChIKey:RQCDQXUFZMMVMS-UHFFFAOYSA-N
ID: 39228
SMILES:OC1c2c(O)cc(CCCCC)cc2OC(C)(C)C2CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.56
InChIKey:WSLHSMWZERRPNS-UHFFFAOYSA-N