ID: 39733
SMILES:CCC(O)Cc1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -16.014
InChIKey:QQNMGOUVBGJODM-UHFFFAOYSA-N
ID: 39734
SMILES:C(C)(C1CC2C(C)(C=C1)Oc1c(c(O)cc(CCCC)c1)C2)=CC=CC(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.572
CB1 binding score: -15.587
InChIKey:DQORTMZAKQXNMM-UHFFFAOYSA-N
ID: 39735
SMILES:Oc1c2c(c(CCCC(C)C)c(O)c1)OC(C1=CCCC=C1)OC2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -14.897
InChIKey:XYOCSARQTOZZOW-UHFFFAOYSA-N
ID: 39736
SMILES:CC1=CCC2C(C)(C)Oc3cc(CCCCC)c(C(=O)O)c3-21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -15.929
InChIKey:XGPQEEGIRSACPT-UHFFFAOYSA-N
ID: 39737
SMILES:CCCCCc1cc2c(cc1O)C1C=C(C=O)CC3C(C(C)=C)CCC(C)C3(C1)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.582
CB1 binding score: -15.636
InChIKey:JOPDVEOHYHKEGO-UHFFFAOYSA-N
ID: 39738
SMILES:CC1(C)C23C(c4c(cc(CCC)cc4O)O1)CC(C2)C(C)(C)O3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -11.364
InChIKey:KNYIAJNMNRKEEB-UHFFFAOYSA-N
ID: 39739
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(C)cc(O)c3C2=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 270.372
CB1 binding score: -17.794
InChIKey:BXIIEPIQSTYUSU-UHFFFAOYSA-N
ID: 39740
SMILES:O=C(c1ccc2c(c1CCCCC)OC(C)(C)C1=C2CC(C)CC1)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.498
InChIKey:VCUVJJUMLPZAJJ-UHFFFAOYSA-N
ID: 39741
SMILES:C(CC)CCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 39742
SMILES:O1c2c3c(cc(CCCC(O)C)c2C)OC(C)(C)C1C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -15.224
InChIKey:ABFSQGSWJYNKHQ-UHFFFAOYSA-N
ID: 39743
SMILES:C(CCCc1cc(O)c(C2C=C(CCC=C(C)C)C(=O)O2)cc1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -17.365
InChIKey:TVLUJXRPTYGDHM-UHFFFAOYSA-N
ID: 39744
SMILES:Oc1cc(CCCC)cc2c1C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.175
InChIKey:RVWTXSLOGRTPEH-UHFFFAOYSA-N
ID: 39745
SMILES:c1(CCCCC)ccc(O)c(C2C(C(C)=C)CCC(C)=C2)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.615
InChIKey:CRXGOYTUACLVFE-UHFFFAOYSA-N
ID: 39746
SMILES:CCCCCc1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(C)(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.841
InChIKey:UKPNRAMYBFBWKV-UHFFFAOYSA-N
ID: 39747
SMILES:CC1(C)C2CC=C(C)CC2c2c(c3c(cccc3CO)o2)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.382
CB1 binding score: -15.736
InChIKey:AOTSEBVQHZMCIN-UHFFFAOYSA-N
ID: 39748
SMILES:Oc1c(O)c(CCCC)c(C(O)=O)c(O)c1C1C(O)C(O)C2OC(C)(C)C3CCC(C)C132
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.528
CB1 binding score: -16.36
InChIKey:DGTLCTQWKKFLEH-UHFFFAOYSA-N
ID: 39749
SMILES:C(O)c1c(CCCC)cc2c(c1)C1C(CCC(CO)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -11.491
InChIKey:OSEISAOMXXPLDD-UHFFFAOYSA-N
ID: 39750
SMILES:C1(C)(C)Oc2cc(O)c(C(=O)O)c(CC(CC=C(C)C)C(=C)C)c2C2C1CC(O)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.595
CB1 binding score: -12.669
InChIKey:VCFPRWXCHQWNAP-UHFFFAOYSA-N
ID: 39751
SMILES:C(OC(C)=O)C1(CCC=C(C)C)C=Cc2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -17.65
InChIKey:KYIVCDMLPFRXJR-UHFFFAOYSA-N
ID: 39752
SMILES:CCCCCc1cc(O)c2c(c1)OC(C(CCC=C(C)CCC=C(C)C1OC(C)(C)C=C1)CC=C(C)C)C=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 532.809
CB1 binding score: -16.078
InChIKey:VVMFMNYRBYSJSG-UHFFFAOYSA-N
ID: 39753
SMILES:c1(O)c(C(CC(CC(C)C)=O)C)cc(-c2cc3c(c(O)c2)C2C(CCC(C)=C2)C(C)(C)O3)cc1CC=C(CCC=C(C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 598.868
CB1 binding score: -16.094
InChIKey:NLGMOUWTORAIJF-UHFFFAOYSA-N