ID: 5545
SMILES:c1c(CCCCCC)cc2c(c1O)C1C=C(CO)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -18.264
InChIKey:JSQZQNWIVUSPJH-UHFFFAOYSA-N
ID: 5546
SMILES:C12C(O)(c3c(cc(CCCOC(=O)C)cc3O)OC1(CO)C)CC(=C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.422
CB1 binding score: -16.577
InChIKey:MGBKOLPXHXONIO-UHFFFAOYSA-N
ID: 5547
SMILES:C(C)CCCCc1cc2c(c(O)c1)C1C(C(C)(C)O1)CCC(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -14.643
InChIKey:RFUWFBFFIJTFHH-UHFFFAOYSA-N
ID: 5548
SMILES:C(c1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)N
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 273.376
CB1 binding score: -17.027
InChIKey:IXYTXWWBZMJNFB-UHFFFAOYSA-N
ID: 5549
SMILES:C1CC2(C)oc3c(c(O)cc(CCCCC)c3)C3C2(C)C(C)(CC(C)=C3)C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -15.064
InChIKey:XSWCZODVNOUMLO-UHFFFAOYSA-N
ID: 5550
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1OC(C)(C=C1)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.527
InChIKey:WWOIDOCFHDFCHW-UHFFFAOYSA-N
ID: 5551
SMILES:c1(CC=C(C)CCC=C(C)C)cc(OC(NC)=S)cc2c1OC(C)(C)C1CC=C(C)CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 453.692
CB1 binding score: -15.116
InChIKey:WMPUMTYSKMKDII-UHFFFAOYSA-N
ID: 5552
SMILES:C1=C(C)C(O)CC(C(C)C)C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.238
InChIKey:BJYXQJGARPKCEI-UHFFFAOYSA-N
ID: 5553
SMILES:C(=CC)(c1c(O)cc2c(c1)OC(C)(C)C1CCC(C)=CC21)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -15.123
InChIKey:ZXGQANVXQCUMIT-UHFFFAOYSA-N
ID: 5554
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2=CCC(C)(O)C(O)C2C1C(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -14.674
InChIKey:UVDKGEHFIGOLCS-UHFFFAOYSA-N
ID: 5555
SMILES:C(CC)CCc1cc2c(c(O)c1)C1CC(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 5556
SMILES:C(c1c2c(c(O)c(CC=C(C)C)c1)OC(C)(C)C1C2CC(C)=CC1)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -14.662
InChIKey:MSSTUYUHRPCESU-UHFFFAOYSA-N
ID: 5557
SMILES:C1CCC(C=O)(C)C2C1c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -15.157
InChIKey:JYDODIRXHQKDDC-UHFFFAOYSA-N
ID: 5558
SMILES:C1C2(C(OC3OC(CO)C(O)C(O)C3O)=O)CCC(C)=CC2c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 492.565
CB1 binding score: -14.743
InChIKey:QFPCGCKJPZRQME-UHFFFAOYSA-N
ID: 5559
SMILES:c1(CCCCC)cc(O)c2c(c1O)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.622
InChIKey:VUACIIASMNRNBB-UHFFFAOYSA-N
ID: 5560
SMILES:C(=CCc1c(C)c(C(=O)O)c(O)c2c1OC(C)(C)C1CCC(C)=CC12)(O)C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.499
CB1 binding score: -15.013
InChIKey:LORHXNWRBQGSPI-UHFFFAOYSA-N
ID: 5561
SMILES:CC(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 5562
SMILES:C(CCC(O)=NC(C(O)=O)C(C)C)c1cc(C2C=C(C)CCC2C(C)=C)ccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 397.559
CB1 binding score: -15.966
InChIKey:XYTORZKQKUUECM-UHFFFAOYSA-N
ID: 5563
SMILES:C(CC)=Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -16.334
InChIKey:AKLTYWGSEYADEW-UHFFFAOYSA-N
ID: 5564
SMILES:C(C)(C1CC2C(C)(CC1c1cc(CCCCC)cc3c1occ3)Oc1c(c(O)cc(CCCCC)c1)C2=O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 530.749
CB1 binding score: -14.352
InChIKey:NHLNSUBKEUKXCC-UHFFFAOYSA-N
ID: 5565
SMILES:C(C)CCCc1cc2c(c(O)c1)C1=C(C(C)(C)O2)CCC(C)(O)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -19.691
InChIKey:ZLYNXDIDWUWASO-UHFFFAOYSA-N