ID: 113086
SMILES:C12C(C(C)(C)Oc3cc(CCCCC)cc(O)c31)CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 113087
SMILES:c12ccc(CO)cc1OC(C)(C)C1C2C(C)(O)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -16.438
InChIKey:SZIXQPZQOXYJDU-UHFFFAOYSA-N
ID: 113088
SMILES:CC1(C)C2CC=C(CO)CC2c2c(O)cc(CCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -17.797
InChIKey:KERKCYZDMNZUKU-UHFFFAOYSA-N
ID: 113089
SMILES:C1(=O)C(CCC=C(C)CCC=C(C)C)=CC(c2c(O)cc(CCC)cc2O)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.544
CB1 binding score: -12.941
InChIKey:MKHCJSPKZQYWNK-UHFFFAOYSA-N
ID: 113090
SMILES:C1(C(C)(C)O)CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.812
InChIKey:FTDORWGKHUOHKJ-UHFFFAOYSA-N
ID: 113091
SMILES:c1(O)cc(CCCCC)cc2c1C(CCCO)C(CCC=C(C)C)(C)C(O)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.619
CB1 binding score: -15.202
InChIKey:OCIDNDBCGAOJBU-UHFFFAOYSA-N
ID: 113092
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(COC(C)=O)=CC21)CCCC=CCCCCCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 496.732
CB1 binding score: -14.605
InChIKey:XZRDLJPZIZWEKR-UHFFFAOYSA-N
ID: 113093
SMILES:CCCCCc1c(OC)c(O)c2c(c1CC=C(C)C)OC(C)(C)C1C2C(CO)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.602
CB1 binding score: -16.246
InChIKey:INVOXCSLWUIXIX-UHFFFAOYSA-N
ID: 113094
SMILES:C1=C(C)C(C(C)=C)C(c2c(O)cc(O)cc2CCCCC)C(C(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -15.43
InChIKey:FXGCJKCOCDUBSD-UHFFFAOYSA-N
ID: 113095
SMILES:C12=CC(C)CCC1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.727
InChIKey:YLTWYAXWDLZZCU-UHFFFAOYSA-N
ID: 113096
SMILES:C1(C(O)(CCCC(C)CO)C)CC=C(C)C2CCC3(C)Oc4cc(C)cc(O)c4C(OC3=O)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.622
CB1 binding score: -14.932
InChIKey:UCEKRBIUTXTESU-UHFFFAOYSA-N
ID: 113097
SMILES:c1c(C)c(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -19.857
InChIKey:ADVBWFBGNLNRPY-UHFFFAOYSA-N
ID: 113098
SMILES:C(c1cc2c(cc1)OC(C)(C)C1C2C=C(C)CC1)(O)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.344
CB1 binding score: -19.478
InChIKey:HNVKFYQXRFNXOU-UHFFFAOYSA-N
ID: 113099
SMILES:C(CCC)Cc1cc(O)c(C2C=C(C)CC(c3c(OC)ccc(CCNC(=O)C=CS(=O)(=O)C)c3OC)C2C(C)C)cc1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 611.845
CB1 binding score: -15.034
InChIKey:WYTRUQPPVKMNLJ-UHFFFAOYSA-N
ID: 113100
SMILES:c1(CC=C)cc(O)c(OC)c(C2C(C(=C)C)CCC(C)=C2)c1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -17.708
InChIKey:HQWYMPGFWXNQBG-UHFFFAOYSA-N
ID: 113101
SMILES:Oc1cc(CC=C(CCC=C(C)C)C)c(O)cc1CCCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -17.784
InChIKey:BBIRKFDEXAZOPO-UHFFFAOYSA-N
ID: 113102
SMILES:c1(O)c2c(cc(OC)c1CC=C(C)C)OC(C)(C)C1C(O)CC(CO)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -14.703
InChIKey:DIXADXKQIHCTBH-UHFFFAOYSA-N
ID: 113103
SMILES:c1(C(=O)O)c(O)c2c(cc1CCCCC)OC1(C)CCC(C1(C)C)CC2C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.575
CB1 binding score: -16.202
InChIKey:GJCULLXLLUJTEL-UHFFFAOYSA-N
ID: 113104
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 113105
SMILES:c1(C)cc2c(cc1)C(C)(C)Oc1c-2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 113106
SMILES:C(Cc1c(O)c2c(cc1O)OC(C)(C)C1C(C2)C(C)CC1O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.429
CB1 binding score: -18.112
InChIKey:OFYGNBFUEKTMRF-UHFFFAOYSA-N