ID: 94396
SMILES:C(O)(=O)c1c2c(c(O)c(C(C(C)CC)=O)c1)OC(C)(C)C1C2C=C(C=O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.444
CB1 binding score: -14.081
InChIKey:GTEWLDOFZWGYSM-UHFFFAOYSA-N
ID: 94397
SMILES:c1c(CCN)cc(C2C=C(C)CCC2C(=C)C)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 255.405
CB1 binding score: -14.888
InChIKey:NBDCGOYYPDULFW-UHFFFAOYSA-N
ID: 94398
SMILES:C(O)(C(O)(C)C)C1C(C=C(CCC=C(C)C)C)Oc2c1c(O)cc(CCCCC)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.602
CB1 binding score: -16.216
InChIKey:UOYUBBBAFVOSTR-UHFFFAOYSA-N
ID: 94399
SMILES:C(c1c(C(=O)O)c(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -17.285
InChIKey:NIVFVXYHFPSETN-UHFFFAOYSA-N
ID: 94400
SMILES:CC(C12Oc3c(c(O)cc(C)c3)C1C(C(CCC=C(C)C)C)CCC(C)=C2)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.572
CB1 binding score: -16.677
InChIKey:ANOTVOHWXUVQMC-UHFFFAOYSA-N
ID: 94401
SMILES:CC(C)=CCC1C(C)(C)Oc2cc(CCCCC)c(C(=O)OC)c(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -15.903
InChIKey:LUWHKMPKAIUIHC-UHFFFAOYSA-N
ID: 94402
SMILES:Oc1c2c(cc(C(C)(C)CC)c1)OC(C)(C=CC=C(C)C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -15.379
InChIKey:GHWMCTCDIQXPSE-UHFFFAOYSA-N
ID: 94403
SMILES:C1(=O)C2C(CO)=CC1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: Not available
InChIKey:XTOUWNANLRAYMQ-UHFFFAOYSA-N
ID: 94404
SMILES:c1(CCCC)ccc(O)c(CC=C(C)CCC=C(C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -18.107
InChIKey:MIXCUUCNJULULK-UHFFFAOYSA-N
ID: 94405
SMILES:Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)C(O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -16.83
InChIKey:LEPFLLPRZNIMSN-UHFFFAOYSA-N
ID: 94406
SMILES:CC(C)c1c(O)c2c(c(C(=O)CCCCC)c1O)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -15.323
InChIKey:IIFAQHUHBLFSQV-UHFFFAOYSA-N
ID: 94407
SMILES:C(CC)Cc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.843
InChIKey:QHCQSGYWGBDSIY-UHFFFAOYSA-N
ID: 94408
SMILES:C1(CCC=C(C)C)(C)Oc2cc(CCCCC)c(C(=O)O)c(O)c2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -17.201
InChIKey:WRDOPLLDCBRWNW-UHFFFAOYSA-N
ID: 94409
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2(O)C=CC(C)(O)CCC3C(C)(C)C1C23
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -12.626
InChIKey:HANQHXWXBNRQPH-UHFFFAOYSA-N
ID: 94410
SMILES:C1(C)=CC2c3c(cc(CCCCC)c(C(O)=O)c3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -19.351
InChIKey:UCONUSSAWGCZMV-UHFFFAOYSA-N
ID: 94411
SMILES:C1(C)=CCC(C(C)=C)C(c2c(O)c(C(OC)=O)c(CCCCC)cc2O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -16.871
InChIKey:OUJTUYCAGZDJMD-UHFFFAOYSA-N
ID: 94412
SMILES:O(c1c(O)c2c(cc1CCCCC)OC(C)(CCC=C(C)C)C2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -15.929
InChIKey:ARPFRXHYEIPQPU-UHFFFAOYSA-N
ID: 94413
SMILES:Oc1c2c(c(O)c(CC(C(C)=C)C=C)c1)OC(C)(C)C1CC=C(C)C3C12C(O)C(C)=C3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.565
CB1 binding score: -13.994
InChIKey:ASMDIGSOPXWOCT-UHFFFAOYSA-N
ID: 94414
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C(C(C)(O)CCC1C(CCC=C(C)C)=C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: -16.902
InChIKey:YKNOVVRIGXTPOG-UHFFFAOYSA-N
ID: 94415
SMILES:c12c(C(=O)C(C)C)c(O)cc(O)c1C1C(C(C)(C)O2)CC(O)C(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.423
CB1 binding score: -18.203
InChIKey:OLDWJLQJEQQQJJ-UHFFFAOYSA-N
ID: 94416
SMILES:CC1(C2CCC(C)=CC2O)c2c(O)cc(CCC)cc2OC(C)(C)C(Cl)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.994
CB1 binding score: Not available
InChIKey:PIRVCTLUFFHDJQ-UHFFFAOYSA-N