ID: 78331
SMILES:C(C)(CCCC(Cc1c2c(c(C)cc1O)CCC(C(=C)C)C2)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.54
CB1 binding score: -16.592
InChIKey:DISZBEZGMALXEO-UHFFFAOYSA-N
ID: 78332
SMILES:c1(CCCCC)ccc(O)c(CC=C(C)CCC=C(C)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 300.486
CB1 binding score: -19.441
InChIKey:VPIIPBDTVZXIEC-UHFFFAOYSA-N
ID: 78333
SMILES:CC(C)CC(=O)c1c(O)c2c(cc1O)OC(C)(C)C1CC=C(CO)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -20.093
InChIKey:FOZSVRRUVJRJFH-UHFFFAOYSA-N
ID: 78334
SMILES:O=C(c1c(CCCCC)c(O)c2c(c1O)C=CC(C)(CCC=C(C)C)O2)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -15.769
InChIKey:GEFZXMXBDJTYLI-UHFFFAOYSA-N
ID: 78335
SMILES:Oc1ccc2c(c1C)C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -17.767
InChIKey:PAEXFQCXJALBEH-UHFFFAOYSA-N
ID: 78336
SMILES:C1C(Cl)C(C)(C)OC(c2c(O)cc(C(CC=C(C)C)=O)c(O)c2)C1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.923
CB1 binding score: -15.39
InChIKey:HNZBRQRDACDZAT-UHFFFAOYSA-N
ID: 78337
SMILES:C=C(C1CC23CC4(c5c(O)cc(CCCC(C)C)cc5O)OC5CC(C1(O)C52)C4(C)C(O)C3(C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 496.688
CB1 binding score: -17.724
InChIKey:JZPJSRVVSAXFJR-UHFFFAOYSA-N
ID: 78338
SMILES:C1CC2(C)Oc3c(c(O)cc(CCC(CC)O)c3)C(C2)C1C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -15.032
InChIKey:DIUQPIIEEZUNGN-UHFFFAOYSA-N
ID: 78339
SMILES:OC(C=C(C)C)CC(C)=CCc1c(O)cc(CCCCC)c(C(=O)O)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -17.677
InChIKey:FYUMLDZFQYVKKK-UHFFFAOYSA-N
ID: 78340
SMILES:C1C2(C)c3c(cc(CCCCC)cc3O)C(O)C1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: Not available
InChIKey:CWVAKZMTOYXGDV-UHFFFAOYSA-N
ID: 78341
SMILES:Oc1cc(O)c2c(c1C(=O)OCCCCCCCC)OC(C)(C)C1CC=C(C(OC)=O)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 460.567
CB1 binding score: -14.447
InChIKey:ATSOHCNOEKJOIN-UHFFFAOYSA-N
ID: 78342
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2O)C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.349
InChIKey:PVWKYDHSQZSCHQ-UHFFFAOYSA-N
ID: 78343
SMILES:c12c(cc(CCCCC)cc1)OC(C)(C)C1CCC(C)=C1C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -16.87
InChIKey:LYZJDRZMQZLQAH-UHFFFAOYSA-N
ID: 78344
SMILES:C1CC(C)=CCCC(C)=CC2C(C(C)(C)Oc3c2cccc3)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.481
CB1 binding score: -17.374
InChIKey:AUOSCGFKHGGUGQ-UHFFFAOYSA-N
ID: 78345
SMILES:C12CC3C(C1O)c1c(O)cc(CCCCC)cc1OC3(C)CCC2C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -14.082
InChIKey:ISHNBQMMMALEDT-UHFFFAOYSA-N
ID: 78346
SMILES:C1C2C(C)(C)C(c3c(cc(CCCCC)c(C(O)=O)c3O)O2)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.396
CB1 binding score: -15.432
InChIKey:HRTBZCSIUQPAFJ-UHFFFAOYSA-N
ID: 78347
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)=C)CC1=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.454
CB1 binding score: -16.885
InChIKey:ZGTZBRKFZJGQFD-UHFFFAOYSA-N
ID: 78348
SMILES:CC(C1C(C(=O)C(C)C)c2c(O)cc(CCCCC)cc2O1)CC=C(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -12.285
InChIKey:YPWFIQQKGIWXON-UHFFFAOYSA-N
ID: 78349
SMILES:C1=C(C)C(OC(C)=O)CC2C(C)(C)Oc3cc(CCCCC)cc(OC(=O)C)c3C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.569
CB1 binding score: -16.038
InChIKey:NBAZTZMVDWMNOI-UHFFFAOYSA-N
ID: 78350
SMILES:C(=O)(OCc1c2c(c(O)c(OC)c1)-c1c(O)cc(CCCCC)cc1OC(C)(C)C2O)CC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.551
CB1 binding score: -14.867
InChIKey:SSPKDKZJCXZYCQ-UHFFFAOYSA-N
ID: 78351
SMILES:c1(O)c(C2(C)CCC(C(C(=O)OC)C)OO2)cc2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.541
CB1 binding score: -15.15
InChIKey:BKUINUNAFLNLID-UHFFFAOYSA-N