ID: 89125
SMILES:C1C(C)(CO)CC2(O)C3(C)CC(c4c(O)cc(CCCCC)cc4O1)OC1CC(=C)C31C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.596
CB1 binding score: -14.706
InChIKey:YWKWVMPJMKNLBQ-UHFFFAOYSA-N
ID: 89126
SMILES:c1(C)c(CCCC)cc2c(c1O)C=CC(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -16.86
InChIKey:IMKCIRHHCMWLMD-UHFFFAOYSA-N
ID: 89127
SMILES:C(C(N)CCc1cc(O)c2c(c1)OC(C1(C)CC(C)(C)CCC1)=CC2C)OC(CCCC)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 457.655
CB1 binding score: -16.645
InChIKey:YNHUABHDNQOLFM-UHFFFAOYSA-N
ID: 89128
SMILES:C12C(C(C)(C)Oc3c1c(O)cc(CCCCCN=[N+]=[N-])c3)C=CC(C)(O)CCC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 399.535
CB1 binding score: -15.788
InChIKey:MHBSNDHBCXKDGH-UHFFFAOYSA-N
ID: 89129
SMILES:CC=C(C(=O)OCC(=CCc1c2c(c(=O)c3c(c1)OC(C)(C)C1C3C=C(C)CC1)C2=O)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.559
CB1 binding score: -15.668
InChIKey:XVDZSVZDHLGPLQ-UHFFFAOYSA-N
ID: 89130
SMILES:c1(C(C)C(C(C)C)C)c(O)c(O)c2c(c1)CC1(O)C(CC(O)C(C)(C)O1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.562
CB1 binding score: -17.532
InChIKey:WDXJNEXWRAPJDS-UHFFFAOYSA-N
ID: 89131
SMILES:C(C)(C)C(=O)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -18.304
InChIKey:MLCYRUTXUZZKHD-UHFFFAOYSA-N
ID: 89132
SMILES:C(c1ccccc1)(Cc1cc2c(c(O)c1)C1CC(C)(CCC1C(C)=C)O2)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.469
CB1 binding score: -17.007
InChIKey:VIBREXBAJHFDBL-UHFFFAOYSA-N
ID: 89133
SMILES:C(C1C(C(C)(C)O)C1(C)C)CC(=CCc1c(O)c(C)cc(OC)c1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -16.199
InChIKey:YYRDCLJFKOLHNU-UHFFFAOYSA-N
ID: 89134
SMILES:C(CC)Cc1cc(O)c2c(c1)OC(C)(C)C1(O2)CC=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -13.915
InChIKey:QJWIVBXOMKAYPI-UHFFFAOYSA-N
ID: 89135
SMILES:O(C(=O)C)C1C2c3c(cc(CCCCC)cc3O1)OCC2C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.386
CB1 binding score: -16.608
InChIKey:WGHAIQHJZYYELU-UHFFFAOYSA-N
ID: 89136
SMILES:C1(=O)C2c3c(c(CCCCC)cc(O)c3C1C)OC(C)(C)C1CCC(C)C(=C21)C#CCCC1=CCCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 526.761
CB1 binding score: -16.502
InChIKey:SKHXXOKDWAQYJR-UHFFFAOYSA-N
ID: 89137
SMILES:OC12C(CCC(C)=C1)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.313
InChIKey:XIIAOXXFRJHRGJ-UHFFFAOYSA-N
ID: 89138
SMILES:Oc1c(C)cc(O)c2c1C(C(CCC=C(C)C)C=O)(C)CCC2COc1cc(CCCCC)cc(OC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 522.726
CB1 binding score: -15.103
InChIKey:WNQIGSRAVDAHMD-UHFFFAOYSA-N
ID: 89139
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 89140
SMILES:CC1(C)Oc2cc(CCCCC)c(O)c(O)c2C2CC(C)=CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.889
InChIKey:UQZHCXRAKGTLRR-UHFFFAOYSA-N
ID: 89141
SMILES:c1(O)cc(CCCCC)cc2c1C1C(C(O)(C)CCC(C(C)(C)O)=C1)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -15.107
InChIKey:WJNRJZVXZLPXCB-UHFFFAOYSA-N
ID: 89142
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 89143
SMILES:C12C(C)(C)Oc3c(C)c(OC(C)=O)c(OC(=O)C)cc3C1CC=C(C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.434
CB1 binding score: -17.716
InChIKey:KMUQMVLQJJGMDD-UHFFFAOYSA-N
ID: 89144
SMILES:O=C(CCCC)c1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -17.329
InChIKey:DCBPFAPCAJSBQC-UHFFFAOYSA-N
ID: 89145
SMILES:C1(C(=C)C)CC=C(C)CC1c1c(O)cc(CCCCC)cc1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -17.696
InChIKey:HYNYRWBHLSVRRM-UHFFFAOYSA-N