ID: 47629
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C(O)=O)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N
ID: 47630
SMILES:C1(C)CC2C(C(C)(C)Oc3c2cc(O)c(CC=C(C)C)c3)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.699
InChIKey:HBFKUKDAEZORJN-UHFFFAOYSA-N
ID: 47631
SMILES:CC1(C)C2CCC(C)=CC2c2c(O)cc(CCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.321
InChIKey:ZROLHBHDLIHEMS-UHFFFAOYSA-N
ID: 47632
SMILES:c1(C(=O)OC2C(C)=CC3c4c(cc(CCCCC)cc4O)OC(C)(C)C3C2)ccc(O)c(OC)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 496.6
CB1 binding score: -15.005
InChIKey:DEYYFKWQWMXPIH-UHFFFAOYSA-N
ID: 47633
SMILES:C1C(O)(C(C)C)C2C(C)(Oc3c(c(O)cc(CCCC)c3)C2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -16.896
InChIKey:NRHBLPYCKBAYBI-UHFFFAOYSA-N
ID: 47634
SMILES:CC(C)=CCc1c(O)cc(CCCCC)c(C(=O)O)c1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -19.394
InChIKey:IQDBYPKRWVDTCI-UHFFFAOYSA-N
ID: 47635
SMILES:C(CCCCCC)Cc1c(O)c2c(c(C=O)c1O)OC(C)(C)C1C2CC(CO)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.558
CB1 binding score: -17.627
InChIKey:CAMMNLKNXTXPBV-UHFFFAOYSA-N
ID: 47636
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(CCC=C(C)CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -19.944
InChIKey:PXPDKUHGJIMKBA-UHFFFAOYSA-N
ID: 47637
SMILES:O1c2c(cc(CCCCC)c(O)c2)C2C(CCC(CO)=CCCC(C)=C2)C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -14.723
InChIKey:VKIHPJKAFANZEB-UHFFFAOYSA-N
ID: 47638
SMILES:C(OC1C(C)=CC2C(C1)C(C)(C)Oc1c2cc(O)c(CC=C(CCC=C(C)C)C)c1O)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.58
CB1 binding score: -13.519
InChIKey:LJXUVFIRNWGJCD-UHFFFAOYSA-N
ID: 47639
SMILES:c12c(CCCCC)cc(O)cc1OC(C)(C)c1ccc(C)cc1-2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -18.027
InChIKey:GLFDAUDHQUHCLZ-UHFFFAOYSA-N
ID: 47640
SMILES:C12CC1C(C)(C)Oc1c2c(O)cc(CCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 232.323
CB1 binding score: -16.688
InChIKey:ZVTOCVBWXYGEFC-UHFFFAOYSA-N
ID: 47641
SMILES:O1C2C(O)CC(C)=C(CCC(C)=CCc3c(O)c(O)cc(CCCCC)c3O)C2(C)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.568
CB1 binding score: -12.258
InChIKey:UUBSYWAPNVIJMI-UHFFFAOYSA-N
ID: 47642
SMILES:C1(=O)C(C)(C)CC(c2c(O)cc(CCCCC)cc2)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -15.721
InChIKey:UAQHHEILWIANGK-UHFFFAOYSA-N
ID: 47643
SMILES:C(C(C)CC=C(C)C)Cc1c(O)c(C(=O)OC)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 362.51
CB1 binding score: -11.743
InChIKey:JBWFIZDUKGKAHL-UHFFFAOYSA-N
ID: 47644
SMILES:C1CCC(CCCC(C)C)(C)Oc2cc(CCCCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Prenyl quinone meroterpenoids
MW: 360.582
CB1 binding score: Not available
InChIKey:KXWXAMRHUFXZHP-UHFFFAOYSA-N
ID: 47645
SMILES:c1c(CCC)cc2c(c1O)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -17.6
InChIKey:BQTLJMHBLRMDJC-UHFFFAOYSA-N
ID: 47646
SMILES:O1C(=O)CC2C(C)(C)CCCC12c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -14.744
InChIKey:SREMGQWINYMBBM-UHFFFAOYSA-N
ID: 47647
SMILES:CCCCCc1cc(OC)c(CC=C(C)C)c(OC(=O)C)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -17.448
InChIKey:BLHJFCSIQWXPFZ-UHFFFAOYSA-N
ID: 47648
SMILES:c1(CCCC(C)(C)OC(C=Cc2ccccc2)=O)cc2c(c(O)c1)C1C(CCC(COC(C=C(C)C)=O)=CC1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 586.769
CB1 binding score: -14.543
InChIKey:AQMZUNYBNJPYHE-UHFFFAOYSA-N
ID: 47649
SMILES:c1(COCCCC)cc2c(cc1C(O)(C)C)OC1(C)C3(C(=C)C2CC1)c(O)cc(CCC)c3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.635
CB1 binding score: -14.153
InChIKey:DSIPVGCHYXHZHI-UHFFFAOYSA-N