ID: 93997
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1=C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.622
InChIKey:NEBZNJDFIPBXCS-UHFFFAOYSA-N
ID: 93998
SMILES:CC(=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -19.234
InChIKey:SEEZIOZEUUMJME-UHFFFAOYSA-N
ID: 93999
SMILES:C12(C)C=C(CC(=CCc3c(OC)c(C)cc(O)c3)C)CC1(C)CC(=O)C(C)=C2CCC(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.619
CB1 binding score: -16.502
InChIKey:NMHALDAUAOMMFL-UHFFFAOYSA-N
ID: 94000
SMILES:CC1=CCC2C(C1)c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 94001
SMILES:c1(O)c(-c2c(C)cc(OC)cc2O)c2c(c(O)c1)C1C(C(C)(C)O2)CC=C(CCC=C(CCC=C(C)C)C)C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 546.748
CB1 binding score: -14.041
InChIKey:PWISUTIMWMOXTE-UHFFFAOYSA-N
ID: 94002
SMILES:C1(=O)c2c(cc(CCCCC)cc2O)OC(C)(C)C1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.332
CB1 binding score: -18.334
InChIKey:HJLDQSFDBVFHQA-UHFFFAOYSA-N
ID: 94003
SMILES:C(C(C)=CCc1c(O)c(C)cc(O)c1)CCC(C)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -19.162
InChIKey:GVVUQQWWMGBFAL-UHFFFAOYSA-N
ID: 94004
SMILES:CC(OCC12C(OC(=O)C(C)C)c3c(O)cc(CCCCC)cc3OC1(C)CC=CC2C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.595
CB1 binding score: -15.279
InChIKey:XMDUIXLMYUDDKF-UHFFFAOYSA-N
ID: 94005
SMILES:C(CC1(C)Oc2c(c(O)cc(CCc3ccc(O)c(O)c3)c2)CC1C)C=C(CCC=C(C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.646
CB1 binding score: -15.358
InChIKey:FXSSRIIPBVEARZ-UHFFFAOYSA-N
ID: 94006
SMILES:c12c(OS(O)(=O)=O)cc(CCCCC)cc1OC(C)(C)C1C2C(O)C(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.532
CB1 binding score: -13.583
InChIKey:FGTAGBORCJJLSF-UHFFFAOYSA-N
ID: 94007
SMILES:CC(OC1C2(O)CCC(C)C2C2c3c(cc(CCCCC)cc3O)OC(C)(C)C12)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.558
CB1 binding score: -15.024
InChIKey:LUNAYIUEWWUSFR-UHFFFAOYSA-N
ID: 94008
SMILES:C(C(=CCc1c(O)c(C(=O)O)c(CCCCC)c(O)c1O)C)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -17.138
InChIKey:BZHWTNCHQIQETM-UHFFFAOYSA-N
ID: 94009
SMILES:CC1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.534
InChIKey:INKUWBOHCFHXTJ-UHFFFAOYSA-N
ID: 94010
SMILES:COc1cc(O)cc2c1OC(C)(C)C1C(C=C(C)CC1)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -13.886
InChIKey:QQVLRCXLPMHLFX-UHFFFAOYSA-N
ID: 94011
SMILES:C1(C)C2CCC(C)=CC2c2c(O)cc(CCC)cc2O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -16.783
InChIKey:IBFJEMWRCRTHCR-UHFFFAOYSA-N
ID: 94012
SMILES:O1C2C3C(c4c(O)cc(CCC(O)CC)cc4OC3(C)C1)CC(=C)C2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -16.101
InChIKey:WTWMNMLVRMTMAJ-UHFFFAOYSA-N
ID: 94013
SMILES:CC(C)C1CCC(CO)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.196
InChIKey:HQWTZGLRGCSGTB-UHFFFAOYSA-N
ID: 94014
SMILES:CC(CCC=C(C)CCC=C(C)C)=CCc1c(O)cc(CCc2ccc(O)cc2)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.62
CB1 binding score: -19.427
InChIKey:VVBVATXKSUVSTB-UHFFFAOYSA-N
ID: 94015
SMILES:C12C(C)(Oc3c(c(OC)cc(CCCCC)c3)C1O)CCC(C(O)(C)C)C2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.536
CB1 binding score: -14.68
InChIKey:GTGSBQHDDXRMOU-UHFFFAOYSA-N
ID: 94016
SMILES:CC1(C)C2CCC(C)=CC2c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 94017
SMILES:C1C(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N