ID: 80851
SMILES:c1(C)cc(CCCCO)cc2c1C1=C(C(C)(C)O2)CCC(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -15.654
InChIKey:XJUZCNXGPIMBQU-UHFFFAOYSA-N
ID: 80852
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 80853
SMILES:CC1(C)C2(C)C(O)(CC1)Oc1c(c(O)cc(CCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -14.663
InChIKey:ULXTUWXSFAPHBL-UHFFFAOYSA-N
ID: 80854
SMILES:Oc1cc(CCCC)cc2c1C1C(C)(CCC1C(C)=C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -16.768
InChIKey:FKKVWUYKLPCXAC-UHFFFAOYSA-N
ID: 80855
SMILES:C(CCC1(C)C=Cc2c(O)cc(CC(OC(=O)C)C)cc2O1)=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -13.859
InChIKey:WPAZSEQFOBZFNF-UHFFFAOYSA-N
ID: 80856
SMILES:c12c(O)c(C(C)COc3cc(O)c(CC=C(CCC=C(C)C)C)c(O)c3)cc(O)c1C1CC(C)=CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 562.747
CB1 binding score: -13.35
InChIKey:GYHOTVOQFYNRJM-UHFFFAOYSA-N
ID: 80857
SMILES:Oc1c2c(cc(CCCCC)c1)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: 80858
SMILES:C1(=O)CC(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -18.334
InChIKey:LMTQDQLMOBKYNY-UHFFFAOYSA-N
ID: 80859
SMILES:C1CC(C)=CC2Oc3c(cc(CCCCC)cc3O)C2C1(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -12.839
InChIKey:MSRSOLFUSIXIRJ-UHFFFAOYSA-N
ID: 80860
SMILES:C1CC(C)C2=C1c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.334
InChIKey:HSWXHBKVRHCSJK-UHFFFAOYSA-N
ID: 80861
SMILES:c1(C)c(C(=O)C(CC)C)c(O)c2c(c1)OC(C)(C)C1=C2C(O)C2(CC(O)CC2=O)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.524
CB1 binding score: -15.766
InChIKey:WACQIWYRQBKALL-UHFFFAOYSA-N
ID: 80862
SMILES:C1C2c3c(cc(CCCCC)cc3OC1C=C(C)C)CC(C)(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -13.73
InChIKey:WPKRYVOLRMNAIN-UHFFFAOYSA-N
ID: 80863
SMILES:C(C=C(CC=CC(C)=C)C)c1c(O)cc(CCCCCO)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.217
InChIKey:CBIBMRJOBRNURA-UHFFFAOYSA-N
ID: 80864
SMILES:CC1CCC2(O)C1c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -17.134
InChIKey:YSYVJOJPHMLSBY-UHFFFAOYSA-N
ID: 80865
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(CO)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 80866
SMILES:C(CCc1cc2c(c(O)c1)C1C(C(C)(O)CCC1C(C)C)O2)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -18.961
InChIKey:CNKSTABSFLNANJ-UHFFFAOYSA-N
ID: 80867
SMILES:c12c(cc(CCCCC)cc1O)OC1(C2)C2C(C(C)C)CC(P(O)(=O)OC)C(C)(C1)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.539
CB1 binding score: -16.337
InChIKey:FDIIBTQCCOYUPK-UHFFFAOYSA-N
ID: 80868
SMILES:C(CCCC)Cc1cc2c(c(O)c1C(=O)O)OC(C)(C)C1C2C=C(CO)CC1OC(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.54
CB1 binding score: -16.781
InChIKey:WHWSKYPRAQRFPA-UHFFFAOYSA-N
ID: 80869
SMILES:c1c2c(c(CCCC)cc1O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.058
InChIKey:SYLMJTKDZIFVGB-UHFFFAOYSA-N
ID: 80870
SMILES:C1(OC2(C)CCC3C(C)(C)Oc4c(c(O)cc(CCCCN=C=O)c4)C3C2O)C(O)C(O)C(O)C(CO)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 537.606
CB1 binding score: -14.724
InChIKey:RLANTMYLDNKKLA-UHFFFAOYSA-N
ID: 80871
SMILES:C(Cc1cc(O)c(C2C(C(C)=C)CCC(C)C2)c(O)c1)CC=C(CCCC(C)(C)Cl)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 447.103
CB1 binding score: -14.836
InChIKey:WSDQMYQTVGJKEX-UHFFFAOYSA-N