ID: 45130
SMILES:C(c1cc(OC(C)=O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.381
CB1 binding score: -15.448
InChIKey:ZRAAULDHMNRODO-UHFFFAOYSA-N
ID: 45131
SMILES:C(C=C(C)C)CC(C)=CCOc1cc2c(cc1O)OC(C)(C)C1CC=C(C)CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -15.902
InChIKey:QUUYTZPPYYMXMO-UHFFFAOYSA-N
ID: 45132
SMILES:C1(C)=CCc2c(ccc(CCCCC)c2)C2C(C)(C)CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -15.579
InChIKey:ZOPMXIUBGNDDJY-UHFFFAOYSA-N
ID: 45133
SMILES:c1(O)cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 45134
SMILES:c1(CCCCCC)cc(O)c2c(c1)OC(C)(C)C1C2CC(CO)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -18.585
InChIKey:NZUUGMLOXJAJLR-UHFFFAOYSA-N
ID: 45135
SMILES:C12C(C)(C)Oc3cc(CCCC)cc(O)c3C1C=C(C)C(=O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -17.144
InChIKey:QVOHZXGDRQEEJT-UHFFFAOYSA-N
ID: 45136
SMILES:C1(CO)C(C)(CCCC(O)(C)C)Oc2cc(C)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 294.391
CB1 binding score: -14.605
InChIKey:LZSAGIPGFBWWDD-UHFFFAOYSA-N
ID: 45137
SMILES:C(C(C)=CCc1c(OC)cc(CCCCC)cc1O)=CC1C(C(C)C)CCC(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.658
CB1 binding score: -15.959
InChIKey:TXBGKPBBOLBVDL-UHFFFAOYSA-N
ID: 45138
SMILES:c12c(OC)cc(CCCCC)cc1OC1C(C)(CCC3(O)C(C)(C)C(O)CCC13C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.601
CB1 binding score: -15.865
InChIKey:QQAHTQIUBNYVEI-UHFFFAOYSA-N
ID: 45139
SMILES:C1(=O)C(OC(=O)C)C2=C(c3c(cc(CCCCC)cc3O)OC2(C)C)cc1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.472
CB1 binding score: -13.331
InChIKey:YZLSNKLXDHHWLX-UHFFFAOYSA-N
ID: 45140
SMILES:C1CC(C)(C)C(c2c(O)cc(CCCCC)cc2O)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -17.818
InChIKey:ZHKVVCCXKGADKK-UHFFFAOYSA-N
ID: 45141
SMILES:CC1(C)C=Cc2c(cc(CCCCC)cc2OC)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -18.771
InChIKey:NUDQDNWIMDAJAE-UHFFFAOYSA-N
ID: 45142
SMILES:Clc1c2c(c(O)cc1CCCCC)OC(C)(C)C(O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.81
CB1 binding score: -13.866
InChIKey:YKAXPOMSNVWPMU-UHFFFAOYSA-N
ID: 45143
SMILES:C1=C(C)C(=O)CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2CC(C)=CC1OCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -16.438
InChIKey:OUTSLIKHUUJRQC-UHFFFAOYSA-N
ID: 45144
SMILES:c1(O)c2c(cc(CCCC)c1O)OC(C)(C)c1c2cc(C(O)=O)cc1CC=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.629
CB1 binding score: -14.953
InChIKey:ADRVWVBIKWBXDP-UHFFFAOYSA-N
ID: 45145
SMILES:C=C(C1Cc2ccc(CCCCC)cc2O1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 230.351
CB1 binding score: -16.912
InChIKey:FCXOVJUENABVET-UHFFFAOYSA-N
ID: 45146
SMILES:C(O)C1=CC2c3c(cc(CCCCC)c(C(=O)O)c3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -17.888
InChIKey:PQLHCGPBCSGLBO-UHFFFAOYSA-N
ID: 45147
SMILES:Oc1c(O)cc(CCCC)c(O)c1CC=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -17.388
InChIKey:JVHXRDRCUSAQKS-UHFFFAOYSA-N
ID: 45148
SMILES:c1(OS(=O)(O)=O)cc(CCCCC)cc2c1C=CC(CCC=C(C)C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.533
CB1 binding score: -13.314
InChIKey:XQISIFYWSQRWIG-UHFFFAOYSA-N
ID: 45149
SMILES:C1(C(=C)C)C2c3c(cc(CCCCC)cc3O)OC(C)(C3CCC(C)=CC23)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.599
CB1 binding score: -14.112
InChIKey:CTDBACFUAMVWOP-UHFFFAOYSA-N
ID: 45150
SMILES:C1=C(C)C(Cc2c(O)cc(CCCC)cc2O)C(C(C)CCC=C(C)C)CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -14.712
InChIKey:LEJVLEZBTALWFY-UHFFFAOYSA-N