ID: 60523
SMILES:C(c1c(CCCCC)cc(O)c(CC=C(C)CCC=C(C)C)c1O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 344.495
CB1 binding score: -19.069
InChIKey:ROXSKQXJGMFFHX-UHFFFAOYSA-N
ID: 60524
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(C)=CC1=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.392
CB1 binding score: -17.458
InChIKey:HNKAYHJGHQMLGC-UHFFFAOYSA-N
ID: 60525
SMILES:C(CCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(=C)C1)c1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 528.733
CB1 binding score: -15.431
InChIKey:TVBZTOJWLJZIHJ-UHFFFAOYSA-N
ID: 60526
SMILES:C1(=O)C(O)(C)C2Oc3cc(CCCCC)cc(O)c3C2C=C(C)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -16.033
InChIKey:WRAQCFOBMRJHDM-UHFFFAOYSA-N
ID: 60527
SMILES:C(C)(=C)C(OCC1=CC2C(C(C)(C)Oc3cc(CCCCC[N+](C)(O)C)cc(O)c31)CC2)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.619
CB1 binding score: -16.005
InChIKey:GNFYCDWPPWCVER-UHFFFAOYSA-O
ID: 60528
SMILES:C1C(C)CC=C(C(C)=C)C1c1cc(CCCCC)cc(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -17.426
InChIKey:RQKOJAGDNXZBJU-UHFFFAOYSA-N
ID: 60529
SMILES:C1(C(=C)C)CCC(C)=CC1c1c(O)cc(C)c(C(CC(C)C)=O)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.029
InChIKey:HPOTXXBPUYKWJP-UHFFFAOYSA-N
ID: 60530
SMILES:Oc1c(CC=C(C)CCC=C(C)C)ccc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 300.486
CB1 binding score: -19.003
InChIKey:KXYIDYXHLDYCQN-UHFFFAOYSA-N
ID: 60531
SMILES:CC1(C)C2CCC(C)=CC2c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 60532
SMILES:C(CCC1(C)Oc2c(c(OC)cc(CCCCC)c2)CC1)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -17.454
InChIKey:VZFRXICVQKCJBK-UHFFFAOYSA-N
ID: 60533
SMILES:c1c2c(c(O)c(CC=C(C)CCC=C(C)C)c1O)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -16.841
InChIKey:HMXZYHSYEFISFP-UHFFFAOYSA-N
ID: 60534
SMILES:c1c(O)c2c(cc1CCCCC)OC(C)(C)C1C2C=C(C(O)=O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N
ID: 60535
SMILES:C(CCC1(C)C(C)CCC=C1C)(C)=CCc1c(O)cc(CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -16.418
InChIKey:ARSANQWMMZHFEV-UHFFFAOYSA-N
ID: 60536
SMILES:C(C=C(C)CCC=C(C)C)Oc1c(O)c(C(=O)O)cc(CCCCC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -15.396
InChIKey:VUQNILFAIHXPQW-UHFFFAOYSA-N
ID: 60537
SMILES:C(CC)CCc1cc2c(c(O)c1)C1C(C(O)(C)C)CCC(C)(O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.841
InChIKey:UKPNRAMYBFBWKV-UHFFFAOYSA-N
ID: 60538
SMILES:C1C2C1C(C)(C)Oc1cc(CC(=O)O)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.278
CB1 binding score: -15.964
InChIKey:IGPAMDILXFVAPP-UHFFFAOYSA-N
ID: 60539
SMILES:C12(C(C)(OCC)C)C=CC(=C)CC1c1c(O)cc(CCCC(C)C)cc1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -15.247
InChIKey:BTBDGXTZZCLIOF-UHFFFAOYSA-N
ID: 60540
SMILES:C(C1CCC(C)=CC1c1c(O)cc(CCCCCC)cc1OC)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.539
CB1 binding score: -17.478
InChIKey:KKUKZMWFPRVFQT-UHFFFAOYSA-N
ID: 60541
SMILES:C(C)(OC1C=CC(C)(C)Oc2cc(CCC)cc(O)c21)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.359
CB1 binding score: -13.813
InChIKey:KOSLZQPRGQSDBM-UHFFFAOYSA-N
ID: 60542
SMILES:CC(C1CC(c2c(O)c(C(=O)O)c(CCCCC)cc2O)C=C(C)CC1)(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.52
CB1 binding score: -16.534
InChIKey:ZEULSKMBMVWKMQ-UHFFFAOYSA-N
ID: 60543
SMILES:C1CC2C(C(=C)COc3cc(CCCCC)cc(O)c32)C2C1C2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -16.581
InChIKey:LCMCQUOYCBPCDO-UHFFFAOYSA-N