ID: 80872
SMILES:CCCc1cc(O)c(CC2C(=C)CCC3C2(C)CCC(=O)C(C)(C)O3)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -16.246
InChIKey:GYUDMOXTJMSDAY-UHFFFAOYSA-N
ID: 80873
SMILES:ClC1C(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2CC(C)(NC=O)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 407.982
CB1 binding score: -15.22
InChIKey:JVXGXTSGNZNFHU-UHFFFAOYSA-N
ID: 80874
SMILES:C(CC)C(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -16.728
InChIKey:KDGJECSFPZVNRE-UHFFFAOYSA-N
ID: 80875
SMILES:Oc1cc(O)cc2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -19.859
InChIKey:WRBRAMOWKIFTPD-UHFFFAOYSA-N
ID: 80876
SMILES:O1C(C)(C)C2CCC(C)=CC2c2c1occ2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 218.296
CB1 binding score: -17.792
InChIKey:KRPULEPNRXMWAF-UHFFFAOYSA-N
ID: 80877
SMILES:O(c1c2c(cc(CCCC)c1)OC(C)(C)C1CCC(CO)=CC21)C(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.065
InChIKey:OBTHGOYKBZIIBC-UHFFFAOYSA-N
ID: 80878
SMILES:CC(CCC=C(C)C)=CCc1c(OS(=O)(O)=O)cc(CCCCC)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.55
CB1 binding score: -18.528
InChIKey:WQKCYRNQIXYTJM-UHFFFAOYSA-N
ID: 80879
SMILES:c1(CCCCC)cc(OC)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.823
InChIKey:GRLARWXSTOXAGR-UHFFFAOYSA-N
ID: 80880
SMILES:CC=C(C)C(=O)OC1CCC2(C)Oc3c(c(O)cc(CCCCC)c3)C3C2(C)C(OC(=O)C)CC1C3(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 526.714
CB1 binding score: -15.929
InChIKey:ISKPPTBHUAXHDW-UHFFFAOYSA-N
ID: 80881
SMILES:C12C(C)C=CCC1(C)C=Cc1c(c3c(cc1C)OC(C)(C)C3CC(=O)C(C)=C)C2O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.566
CB1 binding score: -16.542
InChIKey:AHXMDNONDQAYMP-UHFFFAOYSA-N
ID: 80882
SMILES:c1(CCCCC)cc2c(c(O)c1O)C1=C(C(C)(C)O2)CCC(C)(O)C1OC(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.503
CB1 binding score: -15.119
InChIKey:PUZBKFVJNOSIJA-UHFFFAOYSA-N
ID: 80883
SMILES:c1c(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c(CC=C(C)CCC=C(C)C)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -17.347
InChIKey:YVODSFDYVJCQJH-UHFFFAOYSA-N
ID: 80884
SMILES:C1CC2(c3c(cc(CCC)cc3O)OC2CO)CC1C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -15.142
InChIKey:VYIQCXLGLOSFQJ-UHFFFAOYSA-N
ID: 80885
SMILES:C1(C)(C)C(Cc2c(O)cc(CCCCC)cc2O)=C(C)CC(C)(C)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.538
CB1 binding score: -13.589
InChIKey:AEFGTXUWSYXAKH-UHFFFAOYSA-N
ID: 80886
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C#CC(C(C)C)CC=C(C)C)C=C(C(C)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.68
CB1 binding score: -15.557
InChIKey:VJHHWDJNDVRPSS-UHFFFAOYSA-N
ID: 80887
SMILES:C1CC(O)(C)C2(C(C)(C)C1)C(O)c1c(O)cc(CCCCC)cc1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -12.482
InChIKey:KZSHPFSTVAZVJI-UHFFFAOYSA-N
ID: 80888
SMILES:C(c1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1)CCCCCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.593
CB1 binding score: -16.152
InChIKey:DXQWGRYDOYFPNF-UHFFFAOYSA-N
ID: 80889
SMILES:C1(C(C)C)=Cc2ccc(CCCCC)cc2OC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.378
CB1 binding score: -14.964
InChIKey:XMRBAAQMVIYIOV-UHFFFAOYSA-N
ID: 80890
SMILES:c1(C=CC)cc(O)c2c(c1C(=O)C)OC(C)(C)C1C2C=C(C)CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -14.051
InChIKey:ZRNYHAUMNMADKI-UHFFFAOYSA-N
ID: 80891
SMILES:CC1=CC(c2c(O)cc(CC(C)C)cc2O)C2C(CC1)C(C)(C)C2=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -10.668
InChIKey:NWPGDQRWHUNCFE-UHFFFAOYSA-N
ID: 80892
SMILES:CCc1ccc(O)c(C2C(C(C)=C)CCC(C)=C2)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -17.048
InChIKey:BUBTXMHZJQWLDD-UHFFFAOYSA-N