ID: 60712
SMILES:C1(C)CCC(C(C)CO)C12Oc1c(c(O)cc(CCCCC)c1)C2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -17.792
InChIKey:BZDWTCGRBQDVNE-UHFFFAOYSA-N
ID: 60713
SMILES:CC1(C)C2CC=C(CO)C=C2c2c(cc(CC)cc2O)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -15.464
InChIKey:YUNIUMDGXHQPAX-UHFFFAOYSA-N
ID: 60714
SMILES:C1(=O)C2=C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)C2C(C(C)C)(CC2=O)CCC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.608
CB1 binding score: -15.084
InChIKey:WSKQYAUFFCMBFL-UHFFFAOYSA-N
ID: 60715
SMILES:C12OC(=O)C(C)=C1C=C1c3c(cc(CCCCC)cc3O)OC(C)(C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.473
CB1 binding score: -12.14
InChIKey:RZJMJRALWIIVBY-UHFFFAOYSA-N
ID: 60716
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)(O)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -19.298
InChIKey:TZGCTXUTNDNTTE-UHFFFAOYSA-N
ID: 60717
SMILES:C12C(C(C)(C)Oc3cc(CCCC)cc(O)c31)CC(=O)C(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -17.144
InChIKey:QVOHZXGDRQEEJT-UHFFFAOYSA-N
ID: 60718
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 60719
SMILES:c1(O)cc(CCCCC)cc2c1C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 60720
SMILES:c1(CCC)cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -17.352
InChIKey:SCBXGWCGTJNXFA-UHFFFAOYSA-N
ID: 60721
SMILES:CC1(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: 60722
SMILES:C12c3c(O)cc(C)cc3OC(C)(C)C3C1(CC3)C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -14.121
InChIKey:UECHJDKCWJOFPI-UHFFFAOYSA-N
ID: 60723
SMILES:C(Cc1cc(C2C=C(C)CCC2C(=C)C)c(O)cc1)CC=C(C)C(C(=O)C=C(C)C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.609
CB1 binding score: -14.068
InChIKey:AKFDKQISCVWFTN-UHFFFAOYSA-N
ID: 60724
SMILES:Oc1cc2c(cc1C(C)(C)CCC=C(C)C)OC(C)(C)CCC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -15.588
InChIKey:UEEONRWPVSRZQO-UHFFFAOYSA-N
ID: 60725
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(C(C)(C)O2)CC(C)(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -18.404
InChIKey:IBSBWOIOMTZHJY-UHFFFAOYSA-N
ID: 60726
SMILES:c1(CCCCCC)cc(CC=C(CCC=C(C)C)C)c(O)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 314.513
CB1 binding score: -17.43
InChIKey:DOKRBMNNIIGHQA-UHFFFAOYSA-N
ID: 60727
SMILES:C1CC(C)=CC2c3c(O)cc(O)c(C(=O)C(C)C)c3OC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -18.957
InChIKey:VIYAGNJWEOQORJ-UHFFFAOYSA-N
ID: 60728
SMILES:O=C(c1cc2c(c(O)c1)C1C(CCC(COC(=O)C)C1)C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.423
CB1 binding score: -14.416
InChIKey:CKZGMVBWHJPKPE-UHFFFAOYSA-N
ID: 60729
SMILES:c1(O)c2c(c(O)c(CC(CC=C(C)C)C(C=C(C)C)O)c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -18.646
InChIKey:XPRFXCHUBKZMPC-UHFFFAOYSA-N
ID: 60730
SMILES:C(=O)Cc1c(O)c2c(cc1CCCCC)OC(C)(C)C1=C2C(O)C(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -13.883
InChIKey:UYLAOBDYSKWJAV-UHFFFAOYSA-N
ID: 60731
SMILES:C1C2C(C)(C)Oc3cc(CCCC)c(O)c(O)c3C2C(OC2OC(CO)C(O)C(O)C2O)CC1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 496.597
CB1 binding score: -12.567
InChIKey:RRSLMEXIBBZZFG-UHFFFAOYSA-N
ID: 60732
SMILES:CC1(C)Oc2c(c(O)cc(CCCCCC)c2)C2C=C(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N