ID: 51031
SMILES:C1(O)C(O)C(Oc2cc(CC=C(C)C)c(O)c(CC=C(CCC=C(C)C)C)c2)OC(CO)C1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 476.61
CB1 binding score: -16.791
InChIKey:PPWHLZBMWKDMDX-UHFFFAOYSA-N
ID: 51032
SMILES:C1(=O)OC2c3c(cc(CCCCC)cc3O)OC(C)(C)C12
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.359
CB1 binding score: -16.891
InChIKey:IKTJGXQRNBZMKB-UHFFFAOYSA-N
ID: 51033
SMILES:COc1c2c3c(c(CC(C(C)(C)O)CCC(=O)C)c1)OC(C)(C)C1C3CC(O)(C)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.558
CB1 binding score: -17.215
InChIKey:RUAHJDFIDUPUIL-UHFFFAOYSA-N
ID: 51034
SMILES:C1C(C)=CC2C(C1)C(C)(C)Oc1cc(C)c(OC)cc12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -19.208
InChIKey:DBJJYKXSZRYDDY-UHFFFAOYSA-N
ID: 51035
SMILES:C(C1(C)C(C(C)=C)C2c3c(c(O)c(C(O)=O)c(CCCCC)c3O)OC(C)(C)C2CC1)(OC)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 474.594
CB1 binding score: -15.349
InChIKey:CZHIFTPYXTWOSO-UHFFFAOYSA-N
ID: 51036
SMILES:CCCc1c(OC)cc(O)c2c1OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.613
InChIKey:BBVRTBRXRBFGOX-UHFFFAOYSA-N
ID: 51037
SMILES:C1(C)=CC2C(CC1O)C(C)(C)Oc1cc(CCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -19.829
InChIKey:JXXVDKGGZIPBOC-UHFFFAOYSA-N
ID: 51038
SMILES:Oc1c2c(cc(CCCC)c1)OC(C)(C)C1C2C=C(CCC=C(C)CCC=C(C)C)C(=O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.635
CB1 binding score: -16.8
InChIKey:BYVCYXAYUAXHOZ-UHFFFAOYSA-N
ID: 51039
SMILES:C(c1cc(OC(c2ccccc2)=O)c2c(c1)OC(C)(C)C1CC=C(C)CC21)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.496
CB1 binding score: -12.168
InChIKey:VOWUCCOOPPSXPZ-UHFFFAOYSA-N
ID: 51040
SMILES:C(=CCCC(=CCc1c(O)c(C(=O)O)c(CCC)cc1O)C)(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 400.559
CB1 binding score: -18.074
InChIKey:XJNWDFKQIJOXOC-UHFFFAOYSA-N
ID: 51041
SMILES:C(O)C1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.583
InChIKey:AFSGVVWOXYAPKB-UHFFFAOYSA-N
ID: 51042
SMILES:CC(C1CC(=O)C(=C)CC1c1c(O)cc(CCCCC)cc1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.741
InChIKey:NIEBRUBHQFIRKI-UHFFFAOYSA-N
ID: 51043
SMILES:OCC1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 51044
SMILES:C(C)CCc1cc(O)c2c(c1O)C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -15.526
InChIKey:CTVHFFYLHHYCBT-UHFFFAOYSA-N
ID: 51045
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCC)c2)C2C1CCC1(C)C2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -18.545
InChIKey:JDWQITNQFSNZOK-UHFFFAOYSA-N
ID: 51046
SMILES:c1(O)c2c(c(C)c(C)c1)OC1(C(O)=O)C2C(CC)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.316
CB1 binding score: -12.067
InChIKey:HACXWJJLQJGTFB-UHFFFAOYSA-N
ID: 51047
SMILES:C1(C)=CC2C(C)(Cc3c(O)cc(CCC)cc3O2)CC1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -15.735
InChIKey:HZXNNXHYYNJAGM-UHFFFAOYSA-N
ID: 51048
SMILES:C1(C)(C)C2C(C=C(C)CC2)c2c(cc(O)cc2C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.409
InChIKey:BJMZVRMKKMPCLN-UHFFFAOYSA-N
ID: 51049
SMILES:Oc1c(CC=C(C)C)c(O)cc(CCCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -20.5
InChIKey:YVUPWYODRDEDFU-UHFFFAOYSA-N
ID: 51050
SMILES:CC1=C(Cl)CC2(CC1)C(C(=C)C)C(c1c3c(ccc1O)C(=O)N(C3)C(C)CC)CC2C(=O)OC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 486.052
CB1 binding score: -14.651
InChIKey:MEICWIBAILGSFN-UHFFFAOYSA-N
ID: 51051
SMILES:CC1C(c2c(O)cc(CCCCC)cc2O)OC(C)(C)C2CCC(O)(C)C(O)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.563
CB1 binding score: -12.314
InChIKey:CMABDHQCGZMJOP-UHFFFAOYSA-N