ID: 77344
SMILES:O(C)c1cc2c(c(O)c1C)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -16.551
InChIKey:DRKREAPYJYJLSU-UHFFFAOYSA-N
ID: 77345
SMILES:C1(O)Oc2c(c(C(=O)O)cc(CCCCC)c2)-c2c1c1c(cc2C)OC(C)(C)C1CCC(C)=CC(O)CC(C=C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 560.731
CB1 binding score: -14.479
InChIKey:KBZMCJMUMKOMED-UHFFFAOYSA-N
ID: 77346
SMILES:CC(=CCCC(C)=CCC12C(c3c(cc(CC)cc3O)O1)OO2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -14.06
InChIKey:UYDOQEZZRFYZPO-UHFFFAOYSA-N
ID: 77347
SMILES:CC(=C)C(CCC(C)c1cc(O)c2c(c1O)OC(C)(C)C1C2C=C(C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -14.138
InChIKey:HCNZCUDQWZSZAM-UHFFFAOYSA-N
ID: 77348
SMILES:OC1(C)CCC(C(C)=C)C1c1ccc(CCCCC)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.459
CB1 binding score: -12.394
InChIKey:OOQVITZURVMRJQ-UHFFFAOYSA-N
ID: 77349
SMILES:C(C1=CCCC=C1)Oc1cc(CCCCC)cc2c1OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.61
CB1 binding score: -14.83
InChIKey:GJHLOHAHRHNXBZ-UHFFFAOYSA-N
ID: 77350
SMILES:C1(C(O)(C)C)Cc2c(c(O)cc(CCCCC)c2)C(O)(C)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.429
CB1 binding score: -16.47
InChIKey:BJOCPYNTPDNXRU-UHFFFAOYSA-N
ID: 77351
SMILES:C12CC3C1(Oc1c3c(O)cc(CCCCC)c1)C(=O)C(C)=C(O)C2=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.391
CB1 binding score: -15.222
InChIKey:XRSSHVDIAOYWGX-UHFFFAOYSA-N
ID: 77352
SMILES:C12C3C(C(C)C)C3(O)CC(C)(C1)Oc1c2c(OC)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -15.649
InChIKey:RZOSIKQNCIQHAT-UHFFFAOYSA-N
ID: 77353
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 77354
SMILES:CC(CCC=C(C)C)=CCc1c(O)cc(CC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -18.374
InChIKey:FYEVCSFOWVVFOK-UHFFFAOYSA-N
ID: 77355
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C3(O2)C(C)(C1)CCC1C3(C)CCC(O)C(C)(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -15.694
InChIKey:OEEOPQLNTXSASZ-UHFFFAOYSA-N
ID: 77356
SMILES:C(CC(C)C=C(C)c1c2c(c(O)c(-c3ccccc3)c1O)OC(C)(C)C1C2CC(C)=CC1)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 460.658
CB1 binding score: Not available
InChIKey:GEIMWTPWIQJLIW-UHFFFAOYSA-N
ID: 77357
SMILES:c1(O)cc(CCCC)c(O)c2c1C1CC(C)(O2)CCC1=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -17.726
InChIKey:MYDQQYXEOUBEPT-UHFFFAOYSA-N
ID: 77358
SMILES:C(=C(C)C)Cc1c(O)cc(CCCCC)c(C2C=C(C)CCC2C(C)=C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -15.973
InChIKey:YDGRWZYIGXWTHP-UHFFFAOYSA-N
ID: 77359
SMILES:C123C(C)C=C(C(=O)O)C1C(C)CCC2C(C)(C)Oc1c3c(O)cc(CCCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -15.829
InChIKey:KLBMNUAGWCBTNG-UHFFFAOYSA-N
ID: 77360
SMILES:C(=CCC(c1c(O)cc(CCCCC)cc1)OC)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 276.42
CB1 binding score: -15.751
InChIKey:NEWQUSJZUOINAG-UHFFFAOYSA-N
ID: 77361
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(=C)C1CC=C(C)C(C1)OO2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: Not available
InChIKey:FWOJLOGPHVZMCD-UHFFFAOYSA-N
ID: 77362
SMILES:C1C(C)=CC(c2ccc(CCCCC)cc2)C(C(O)(C)C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -18.046
InChIKey:MXECOWWPQRFPTG-UHFFFAOYSA-N
ID: 77363
SMILES:C(OC1CC(C)C2Cc3c(cc(O)c(C(=O)O)c3)OC(C)(C)C12)(C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.395
CB1 binding score: -14.833
InChIKey:LGWUIOSYJUUUDI-UHFFFAOYSA-N
ID: 77364
SMILES:CC(=CCCC(=CCc1cc(C(O)=O)cc2c1OC(C)(C)C1C2C=C(C)CC1)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.582
CB1 binding score: -16.924
InChIKey:KCGXMDXKALWXGC-UHFFFAOYSA-N