ID: 66928
SMILES:CC1=C(c2c(O)cc(CCCCC)cc2O)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.518
InChIKey:BKEYPGWQLIEXPJ-UHFFFAOYSA-N
ID: 66929
SMILES:C(c1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1)CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -17.784
InChIKey:QPUHYZGLKQWEKI-UHFFFAOYSA-N
ID: 66930
SMILES:C(CC)CCCc1cc2c(c(O)c1)C1C(C(C)(OC)C)CCC(C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.566
CB1 binding score: -14.7
InChIKey:NQSWDQZPWUANPP-UHFFFAOYSA-N
ID: 66931
SMILES:c1(CCCCC)cc2c(c(O)c1C(=O)OC)C1C(C(C)(CCC=C(C)C)C2)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -15.152
InChIKey:PVKPBVKAENAFPA-UHFFFAOYSA-N
ID: 66932
SMILES:CC(=CCCC(=CCc1c(O)cc(CCCCCC)cc1O)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -17.784
InChIKey:QPUHYZGLKQWEKI-UHFFFAOYSA-N
ID: 66933
SMILES:C(=C(C)CCC=C(C)C)c1c(O)cc(CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -16.199
InChIKey:OSCWMBSLWGMDCA-UHFFFAOYSA-N
ID: 66934
SMILES:C1(C)=CC2C(c3c(cc(CCCCC)cc3O)OC2(COC(=O)C)C)CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -15.048
InChIKey:KWRXZUHMXQPEDK-UHFFFAOYSA-N
ID: 66935
SMILES:Oc1cc(CCCCC)cc(O)c1C1C=C(CCC=C(C)C)C(=O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.854
InChIKey:ZGNBDHDIIXUCDX-UHFFFAOYSA-N
ID: 66936
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(CCC=C(COC(C=C(C)C)=O)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -14.699
InChIKey:ISQJRUHGVRHIRL-UHFFFAOYSA-N
ID: 66937
SMILES:C1CC(C(C)C)C(c2c(O)cc(CCCCC)cc2)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -18.957
InChIKey:XFYKOYWZVVGAEV-UHFFFAOYSA-N
ID: 66938
SMILES:O=c1c(CC=C(C)C)c2c(ccc1O)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -15.288
InChIKey:JNVWFIYJFUCVEP-UHFFFAOYSA-N
ID: 66939
SMILES:C1CC(C)C(O)C2C1C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.898
InChIKey:SUVXTOCRTNYFMQ-UHFFFAOYSA-N
ID: 66940
SMILES:C1C(C(C)=C)CC=C(C)C1Oc1cc(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -15.928
InChIKey:RNNHFLJSJYOTPV-UHFFFAOYSA-N
ID: 66941
SMILES:O=C(OC)c1c(CCC)ccc2c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -13.243
InChIKey:VQCBPVIUSZWLSK-UHFFFAOYSA-N
ID: 66942
SMILES:C(CCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(CCC=C(C)C)CO1)=CC(O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -16.879
InChIKey:JIXREZYXZYHTBI-UHFFFAOYSA-N
ID: 66943
SMILES:C(C=C(C)C)CC(=CCc1c(C)cc(O)c(C2C=C(C)CCC2C(C)=C)c1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.599
CB1 binding score: -16.631
InChIKey:ZZUWFWMKWUJSBE-UHFFFAOYSA-N
ID: 66944
SMILES:C1CC2(OC2(C)C)C(C)=C1C(c1cc(C)cc(O)c1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -13.544
InChIKey:YUNWQKDGXHBGHV-UHFFFAOYSA-N
ID: 66945
SMILES:Oc1ccc(OC)c2c1C1CC(C)=CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -16.93
InChIKey:ZQCOWWHTOGJZOR-UHFFFAOYSA-N
ID: 66946
SMILES:C(c1c(OC)c2c(c(C=O)c1O)OC(C)(C)C1CCC(C)=CC21)CC(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -14.454
InChIKey:IGWSRHPYDJUTFM-UHFFFAOYSA-N
ID: 66947
SMILES:C1(C(=C)C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 66948
SMILES:C(C)CCCc1ccc(O)c(CC=C(C)CCC=C(C)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 300.486
CB1 binding score: -19.441
InChIKey:VPIIPBDTVZXIEC-UHFFFAOYSA-N