ID: 49519
SMILES:CC(=O)OC(Cc1c(CCCCC)cc2c(c1O)C1CC(C)=CCC1C(C)(C)O2)C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -15.976
InChIKey:LYOWUOMPGMUWIH-UHFFFAOYSA-N
ID: 49520
SMILES:CC(C)C1C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 49521
SMILES:O=C(CC(=O)O)OCCC1(C)CCC(C)=CC1c1cc(CCCCC)ccc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -15.663
InChIKey:MRMIVPFZHIXMLT-UHFFFAOYSA-N
ID: 49522
SMILES:c1cc(CCCCCC)cc2c1OC(C)(C)C1C2CC(C)(O)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -13.407
InChIKey:SULTZONWRRTUDE-UHFFFAOYSA-N
ID: 49523
SMILES:c12c(cc(CCCCC)cc1OC)cc(O)c(CC=C(C)CCC=C(C)C)c2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -15.411
InChIKey:WMPQATGUOTUXBP-UHFFFAOYSA-N
ID: 49524
SMILES:C(C(C)=CCc1c(O)cc(CCCCCN=[N+]=[N-])c(O)c1)CC=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 425.617
CB1 binding score: -13.806
InChIKey:NUCZVMXNDFRLDA-UHFFFAOYSA-N
ID: 49525
SMILES:C1(C(C)=C)CC=C(C)CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.129
InChIKey:ZTGXAWYVTLUPDT-UHFFFAOYSA-N
ID: 49526
SMILES:C(C)CCCc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 49527
SMILES:c1(O)cc(CCCC)cc2c1C1(O)C(O)(C(C)(C)O2)CCC(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -15.815
InChIKey:SDWDIIMRDJWYFE-UHFFFAOYSA-N
ID: 49528
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(CO)(C)C2=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.321
CB1 binding score: -17.3
InChIKey:HVFXXDZHZANIOF-UHFFFAOYSA-N
ID: 49529
SMILES:C1CC(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 49530
SMILES:C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C=C(C(=O)O)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N
ID: 49531
SMILES:C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 49532
SMILES:C12C(CC(C)C1=CC)C(C)(C)Oc1c2cccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.362
CB1 binding score: -16.197
InChIKey:YDUYIQFZGBVHOZ-UHFFFAOYSA-N
ID: 49533
SMILES:c12c(C(CC)S(=O)(O)=O)c(OC(C)=O)c(C)cc1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.543
CB1 binding score: -17.824
InChIKey:MOIBOHSQCYPBPY-UHFFFAOYSA-N
ID: 49534
SMILES:C(C=C)Cc1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 300.442
CB1 binding score: -15.707
InChIKey:PKGSDXXVYWNOMC-UHFFFAOYSA-N
ID: 49535
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2CC(C)=CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 49536
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(CC=C(C)C1)(CCC(O)C(C)(O)C)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.629
CB1 binding score: -14.622
InChIKey:HLZMVPMOQSLULR-UHFFFAOYSA-N
ID: 49537
SMILES:C12Cc3c(c4c(cc3C)CC(Cl)C(C)(C)O4)OC(C)(C)C1CCC2(C)Cl
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 397.386
CB1 binding score: -14.692
InChIKey:HOCVOMABOHYDHW-UHFFFAOYSA-N
ID: 49538
SMILES:C1=C(C)CCC2C(C)(Oc3c(Oc4cc(C)ccc4)c(O)c(=O)c31)CCC2C(=CC(C=C(C)C)=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 488.624
CB1 binding score: -13.021
InChIKey:HHNOBWVKLGIDMI-UHFFFAOYSA-N
ID: 49539
SMILES:OC(c1c(CC)c2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -13.455
InChIKey:FSRGJHZKUFQOLT-UHFFFAOYSA-N