ID: 22807
SMILES:c1(O)cc(C(C=O)C=O)c2c(c1O)OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.38
CB1 binding score: -15.892
InChIKey:NEQVJPFTUBXDJM-UHFFFAOYSA-N
ID: 22808
SMILES:C1(C)=CC(c2c(O)cc(CCCCC)cc2)C(OC(=O)C(C)=CC)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: -14.434
InChIKey:JSHMSHZMNUMSIX-UHFFFAOYSA-N
ID: 22809
SMILES:CC(C1CCC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2C1)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -17.568
InChIKey:JXULCRXRUMSDJX-UHFFFAOYSA-N
ID: 22810
SMILES:C(CC=C(C)C)C(C)=CCc1cc(C(O)=O)cc2c1OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.582
CB1 binding score: -16.924
InChIKey:KCGXMDXKALWXGC-UHFFFAOYSA-N
ID: 22811
SMILES:C12C(O)c3c(O)cc(CCCCC)cc3OC1(C)C=CC1C2OC(=O)C1=C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.445
CB1 binding score: -11.639
InChIKey:LFDJEXIWPSFRHA-UHFFFAOYSA-N
ID: 22812
SMILES:CC(CC(c1c(O)c(C=O)c2c(c1O)C1C(CCC(C(O)=O)=C1)C(C)(C)O2)CC(C)C)c1ccccc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 506.639
CB1 binding score: -15.226
InChIKey:OJZDKJFJVAJWJK-UHFFFAOYSA-N
ID: 22813
SMILES:C1C(C)=CC(c2c(O)cc(CCC)cc2OC)C(C(=C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.854
InChIKey:OZYYEDPTJXVZJQ-UHFFFAOYSA-N
ID: 22814
SMILES:C1C2C(C)(C)Oc3cc(O)c(C(C)=O)c(C)c3C2CC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -16.169
InChIKey:LKEDPTDBLSVDOU-UHFFFAOYSA-N
ID: 22815
SMILES:C1(C(C)(O)C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C(=O)O)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -16.837
InChIKey:KSSMEJUZYPNBDI-UHFFFAOYSA-N
ID: 22816
SMILES:C1=CC(=O)c2c(cc(CCCCC)cc2O)OC1(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.334
InChIKey:YCDXQMAIGVRFAO-UHFFFAOYSA-N
ID: 22817
SMILES:C1(=COO)CCC2C(C)(C)Oc3c(C(C(O)C(C)C)=O)cc(O)c(c3)C2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.421
CB1 binding score: -16.425
InChIKey:UPVBOQMVKVBXLB-UHFFFAOYSA-N
ID: 22818
SMILES:C(CC)(C)CC(c1c(O)c2c(c(CCCCC)c1)C1C(C(C)(C)O2)CCC(C)=C1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.614
CB1 binding score: -15.562
InChIKey:JATFXKVQFUBDEL-UHFFFAOYSA-N
ID: 22819
SMILES:C1C(C)C2C(C1)C(C)(C)Oc1c(c(O)cc(CCc3c(O)c(CC=C(C)CCC=C(C)C)c(OC4C(O)C(O)C(CO)O4)c(O)c3)=C1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 666.852
CB1 binding score: -15.744
InChIKey:JFAUZOPRTAOYHN-UHFFFAOYSA-N
ID: 22820
SMILES:OC(c1c(O)c2c(cc1CC=C(C)C)OC(C)(C)C1CCC(C)=CC12)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 356.462
CB1 binding score: -15.392
InChIKey:KBHCJSNMBZUBIO-UHFFFAOYSA-N
ID: 22821
SMILES:C(CCCCCOC(=O)CC(OC)=O)c1cc2c(c(O)c1)C1C(C(C)(C)O2)CC(=O)C(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.551
CB1 binding score: -15.121
InChIKey:KIQLQYKKSBDIAX-UHFFFAOYSA-N
ID: 22822
SMILES:c1(OC)c(O)c(C2C=C(C)CCC2C(=C)C)c(O)c(C=O)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.369
CB1 binding score: -14.944
InChIKey:WPPPSGAGULOBIQ-UHFFFAOYSA-N
ID: 22823
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(CCC(CO)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 22824
SMILES:O=C(OC1C2(C)CC=C(C)CCC=C(C)CCC2C(C(=C)C)C1)c1c(O)cc(CCCCC)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 494.716
CB1 binding score: -13.495
InChIKey:XYICFRPVPHYTBI-UHFFFAOYSA-N
ID: 22825
SMILES:C=C1CC2C(CC1O)C(C)(C)Oc1c2cccc1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -17.544
InChIKey:ITFLHJDALQDHGN-UHFFFAOYSA-N
ID: 22826
SMILES:C(CCC)Cc1cc(O)c(CC2C(O)(C)CCC(O)C2(C)C)cc1C=CC(O)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.618
CB1 binding score: -13.28
InChIKey:CTONCMNZQFWDHJ-UHFFFAOYSA-N
ID: 22827
SMILES:C1C=C(C)C(CCC(=O)CC(CC(C)=CCc2cc(O)cc(C)c2O)(OC)C)OC1(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.612
CB1 binding score: -14.28
InChIKey:YHCRJKVBMDVMJY-UHFFFAOYSA-N