ID: 63043
SMILES:Oc1cc(CCCC)cc2c1C1C(C(C)=C)CC3C(C)=CCCC3(C)C1C(=O)C(OC)=C2C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 488.712
CB1 binding score: -13.196
InChIKey:CSABQZWGUWMCSV-UHFFFAOYSA-N
ID: 63044
SMILES:O1C2(C(CO)=C)C=C(C)CC1c1c(O)cc(CCCCC)cc1O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -14.985
InChIKey:HSCUDPSQRFCHJL-UHFFFAOYSA-N
ID: 63045
SMILES:CC(C)=C1C(c2c(O)cc(CCCCC)cc2O)Oc2c(c(O)c(CC=C(C)C)c(O)c2)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.591
CB1 binding score: -17.191
InChIKey:WLQBZAYDEBOMSK-UHFFFAOYSA-N
ID: 63046
SMILES:O1C2CC(C)(Oc3cc(CCCCC)cc(O)c31)C=C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -16.372
InChIKey:KFYNOTFRSZHLON-UHFFFAOYSA-N
ID: 63047
SMILES:C1(C)=CC2C(C(C)(C)Oc3c(C(C)=O)c(O)cc(O)c32)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -16.944
InChIKey:YPIZGFLNQQXMNW-UHFFFAOYSA-N
ID: 63048
SMILES:C(CCC(C)=CCc1c(O)cc(CCC)cc1O)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.824
InChIKey:YJYIDZLGVYOPGU-UHFFFAOYSA-N
ID: 63049
SMILES:C12=C(C(C)CC)C(=CC1=CC(=CC=O)C)C(C)(C)Oc1cc(C)ccc12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.486
CB1 binding score: -15.543
InChIKey:DBVOOOQWQCQFLF-UHFFFAOYSA-N
ID: 63050
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1=O)CCCCCCCCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.668
CB1 binding score: -16.661
InChIKey:PZYWMTCQXBVOAY-UHFFFAOYSA-N
ID: 63051
SMILES:COc1c2c(c(C)c(CCC(C)C)c1)OC(C)(C)C1C2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -15.571
InChIKey:DEUSWAJKZFVHJJ-UHFFFAOYSA-N
ID: 63052
SMILES:C(=C)(C(CC=C(C)C)Cc1c(O)c(C(=O)O)c(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -17.001
InChIKey:RKUWYTJVXYVLJY-UHFFFAOYSA-N
ID: 63053
SMILES:O(c1cc(CCCCC)cc(OC(C)=O)c1)CC=C(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -15.692
InChIKey:OSSRULPXPMDZMA-UHFFFAOYSA-N
ID: 63054
SMILES:C1(O)C(C)(C)Oc2c(c(O)cc(CC)c2)C1OC1C(O)C(O)C(O)C(COC(C)=O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.461
CB1 binding score: -15.687
InChIKey:YGPLQGNGYBQTAT-UHFFFAOYSA-N
ID: 63055
SMILES:CC1(C)C2C(C)(CC=C1)Oc1c(c(O)cc(CCCCC)c1O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.143
InChIKey:UCZRFHLXBSDWEV-UHFFFAOYSA-N
ID: 63056
SMILES:C1CC(C(C)C)C(c2c(O)cc(CCCC)cc2O)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -18.479
InChIKey:QHFVULIOBFWRAD-UHFFFAOYSA-N
ID: 63057
SMILES:C(CCCCc1cc(O)c2c(c1)OC(C(C)(O)C)C2)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 278.392
CB1 binding score: -15.732
InChIKey:TYNDSHWKASZTRH-UHFFFAOYSA-N
ID: 63058
SMILES:C1C(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2(O)C(C(=O)O)=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -16.252
InChIKey:ROBXPLIJEXWOFF-UHFFFAOYSA-N
ID: 63059
SMILES:C1CC(C)=CC2C(C)(C)Oc3cc(CCCC)c(C(OC)=O)c(O)c3C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.646
InChIKey:XUYJKMPYPJDMLC-UHFFFAOYSA-N
ID: 63060
SMILES:C(c1cc(OC)c2c(c1)OC(C)(C)C1CC=C(C)CC21)(C(C)C)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -13.941
InChIKey:OTSUUPSJFNQVNZ-UHFFFAOYSA-N
ID: 63061
SMILES:c12c(cc(CCCC)cc1O)OC(C)(C)C1CC=C(C)CC1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.156
InChIKey:HNCLJNWGSKUART-UHFFFAOYSA-N
ID: 63062
SMILES:OC1(C)C2(O)C(c3c(O)cc(C)cc3O1)C(C(=C)C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.359
CB1 binding score: -12.521
InChIKey:MZXBZKOMZUQXMP-UHFFFAOYSA-N
ID: 63063
SMILES:O(C(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1)(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -16.434
InChIKey:ZAESFQGPGQFFGV-UHFFFAOYSA-N