ID: 51073
SMILES:C12(Oc3c(c(O)cc(CCCCC)c3)C1)C1C(C3=C(O1)C1OC1(CSCC(O)=O)C(C)C2)C(C)(C)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 516.656
CB1 binding score: -15.599
InChIKey:UHWFXIPNCDFYCA-UHFFFAOYSA-N
ID: 51074
SMILES:C1CC(C)C2c3c(cc(CCCCC)c(O)c3O)OC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -16.949
InChIKey:SYRJNHUJOBTODV-UHFFFAOYSA-N
ID: 51075
SMILES:c1(O)c(CC=C(C)CCC=C(C)C)cc(O)cc1CC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.748
InChIKey:VRXKPPYOGGSRFK-UHFFFAOYSA-N
ID: 51076
SMILES:C(CCC)CCc1c(C(=O)O)c(O)c(CC=C(C)CCC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -18.725
InChIKey:DZRJYADBMRYKMJ-UHFFFAOYSA-N
ID: 51077
SMILES:C(CCCC)c1cc(O)cc2c1C1C(C(O)(C)C)CCC(C)=C1CC2O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -12.57
InChIKey:AUYHUEFMYYPWLZ-UHFFFAOYSA-N
ID: 51078
SMILES:c1(CCCCC)cc2c(c(O)c1)C1CC(C)(O1)CCC2C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.173
InChIKey:UWZJPFCMJVTNGF-UHFFFAOYSA-N
ID: 51079
SMILES:CC1C2CC(c3c(OC)ccc(CCCC)c3)(C)C(C)=CC2CC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.562
CB1 binding score: -15.023
InChIKey:ZXRKNGOHEPYKML-UHFFFAOYSA-N
ID: 51080
SMILES:CC1=CC(c2c(O)cc(CCCCC)cc2O)C(C(CC=C(C)C)C(CCC=C(C)C)=C)(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.761
CB1 binding score: -15.174
InChIKey:VMOWXQWZTVEZCL-UHFFFAOYSA-N
ID: 51081
SMILES:C1(=O)c2c(cc(CCCCC)cc2O)OC(C)(C)C2CCC(C)=C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.912
InChIKey:ICKLEZDNADXJLW-UHFFFAOYSA-N
ID: 51082
SMILES:c1(C(=Nc2ccc(N(C)C)cc2)OC(C)=O)cc2c(cc1)OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.564
CB1 binding score: -15.192
InChIKey:HTWZXZSSBOWLJO-UHFFFAOYSA-N
ID: 51083
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(CO)=CC21)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -19.932
InChIKey:YRIJETKCLFDWJX-UHFFFAOYSA-N
ID: 51084
SMILES:C(C)CCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 51085
SMILES:C(=CCCC(=CCc1c(O)cc(CCc2ccccc2)cc1O)C)(CCC=C(C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.621
CB1 binding score: -19.13
InChIKey:IWSASXREQYAISF-UHFFFAOYSA-N
ID: 51086
SMILES:C(C=C(C)CC(O)C1OC1(C)C)CC(C)=CCc1c(O)c(C)cc(OC(C)=O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -15.516
InChIKey:VUEZWFJGDUQUBJ-UHFFFAOYSA-N
ID: 51087
SMILES:C(C=C(C)C)c1c(O)c(C=O)c(CCCCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -18.049
InChIKey:UTQODHOHWHAWHC-UHFFFAOYSA-N
ID: 51088
SMILES:c1(O)c(OC)c2c(c(C(=O)C(CC)C)c1)OC(C)(C)C1CC=C(C)C(OC(=O)C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.514
CB1 binding score: -14.576
InChIKey:CMACKKKNCNJSQB-UHFFFAOYSA-N
ID: 51089
SMILES:C1(O)C(C)=CC(c2c(OC)cc(CCCCC)cc2O)C(C(=C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.808
InChIKey:CVJIVDZPIMCFSK-UHFFFAOYSA-N
ID: 51090
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -19.804
InChIKey:VGBLUPCGCQUYRW-UHFFFAOYSA-N
ID: 51091
SMILES:c12c(c(OC)c(CC=C(C)C)c(CCCCC)c1)OC(C)(C)C1=C2C(=O)C(O)(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -15.374
InChIKey:LBNSLSXBBGXDLF-UHFFFAOYSA-N
ID: 51092
SMILES:C(CCCC)c1cc2c(c(O)c1O)C1C(C(O)(C)C)CCC(C)(O2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -15.168
InChIKey:COLYQJUVVQYKIS-UHFFFAOYSA-N
ID: 51093
SMILES:CC1(C)C(O)Cc2c(c3c4c(c2O)OC(C)(C)C2C4C=C(C)C(CC2)O3)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -12.94
InChIKey:PPVAOEJUDNFEIL-UHFFFAOYSA-N