ID: 10123
SMILES:Oc1c2c3c(c(O)c1C1=CC(C)(C)OC(C)(C)C1C3)OC(C)(C)C1CCC(C)(O)C(Cl)C21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 463.014
CB1 binding score: -14.727
InChIKey:UQNXSGMYAIGBKS-UHFFFAOYSA-N
ID: 10124
SMILES:C12CC3C(C1(C)C(O)CC1C(C)(C)Oc4cc(C)cc(O)c41)(O2)Oc1c(c(C)ccc1C(C)C)C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.629
CB1 binding score: -16.92
InChIKey:OSJCQILCJJENAC-UHFFFAOYSA-N
ID: 10125
SMILES:C1(C)=C2C(CCC1=O)C(C)(C)Oc1c(cc(CCCCC)cc1O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -15.043
InChIKey:FZOVNTCJVDNFQA-UHFFFAOYSA-N
ID: 10126
SMILES:C(C=C(C)C)(OC)c1c(O)c(C2C=C(C)CCC2C(=C)C)c(O)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.633
InChIKey:ZNVMWKXAGWLQRD-UHFFFAOYSA-N
ID: 10127
SMILES:C1=CCC(C)(CCC=C(C)C)Oc2c(c(O)cc(CCCCC)c2)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -14.902
InChIKey:RKVFTXONAMTSTM-UHFFFAOYSA-N
ID: 10128
SMILES:C1(C(C)C)=CC=C(C)CC1c1c(O)cc(CCCCC)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -15.364
InChIKey:ZTOLBQMOVCPOSF-UHFFFAOYSA-N
ID: 10129
SMILES:C(C)CCCCc1cc2c(c(OC)c1)C1(C(C(C)C)O2)CC(O)C2C(=O)C=CC3C21O3
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.553
CB1 binding score: -15.633
InChIKey:ZPMNOQLDDUVVQC-UHFFFAOYSA-N
ID: 10130
SMILES:C1(=C(C)C)CC2C(C)(C2C=CC(=C)C(O)Cc2c(OC)c(C)cc(O)c2)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.544
CB1 binding score: -16.012
InChIKey:NUHAOSGBMKGRDD-UHFFFAOYSA-N
ID: 10131
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C(O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.365
CB1 binding score: -19.729
InChIKey:GIIVGKMZIUKMMN-UHFFFAOYSA-N
ID: 10132
SMILES:C1(C)C2C(C)(Oc3c(c(O)cc(CNC(OC(C)(C)C)=O)c3)C2O)CCC1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 391.508
CB1 binding score: -13.893
InChIKey:SEBPPVLAOLYXJP-UHFFFAOYSA-N
ID: 10133
SMILES:C1CC(C)CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.571
InChIKey:YXYUFQADKYZXBS-UHFFFAOYSA-N
ID: 10134
SMILES:CC(=O)Oc1cc2c(c(CC(CC)OC=O)c1)OC(C)(C)C1=C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.472
CB1 binding score: -16.201
InChIKey:WJZUPFBTJJTSBF-UHFFFAOYSA-N
ID: 10135
SMILES:C(C)CCCc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 10136
SMILES:CC1C(O)CC2C1C(C)(C)Oc1cc(CCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -16.388
InChIKey:VTFXUCZQVZPJKW-UHFFFAOYSA-N
ID: 10137
SMILES:C1(C)c2c(cc(C)c(O)c2)-c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.409
CB1 binding score: -16.197
InChIKey:OHDXBYOMIKYWHS-UHFFFAOYSA-N
ID: 10138
SMILES:c12cc(CCCCC)cc(O)c1C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 10139
SMILES:c1c(O)c(C(=O)CC(C)C)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.438
InChIKey:ZFPNQXYSJHUBIM-UHFFFAOYSA-N
ID: 10140
SMILES:C1C=C(C)CCC2C(C)(C)Oc3c(c(O)c(C(=O)O)c(CCCCC)c3O)C2C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.596
CB1 binding score: -15.625
InChIKey:DKQHFVIRLRWRPG-UHFFFAOYSA-N
ID: 10141
SMILES:C1C2(C)C(C(C)(O)C(C)C1)C(C=Cc1ccccc1)c1c(O)cc(CCCCC)cc1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.62
CB1 binding score: -16.45
InChIKey:BPIOUTAYTVEVRB-UHFFFAOYSA-N
ID: 10142
SMILES:CC1(C)Oc2cc(CCCCC)cc3c2C=C1CCC(C)=C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.454
CB1 binding score: -13.328
InChIKey:AMPSWHPYCIMSBO-UHFFFAOYSA-N
ID: 10143
SMILES:C(C#CCC(C)=CCc1cc(O)cc(C)c1O)(CCC(OC(=O)C)C(=C)C)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.5
CB1 binding score: -14.254
InChIKey:WEIVNKBPEIJSLI-UHFFFAOYSA-N