ID: 50002
SMILES:c1(CCCC)cc2c(c(O)c1)C1C(C(=C)C)CCC(C)(O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.334
InChIKey:MNUBYOPTBHHAIM-UHFFFAOYSA-N
ID: 50003
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 50004
SMILES:CC1C(O)C2c3c(O)cc(CCCCC)cc3OC(CC=C(C)C)(C(CO)=CC2=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.569
CB1 binding score: -16.227
InChIKey:MDDBLZYQPCXMPK-UHFFFAOYSA-N
ID: 50005
SMILES:C1C2=CC(C(=O)C2)C(C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -13.579
InChIKey:TUNUKKGYTYMERR-UHFFFAOYSA-N
ID: 50006
SMILES:C(O)(C)(C)C1Oc2c(c(O)cc(CCCCC)c2)C2C1C=CC(C)(O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -18.68
InChIKey:QXDBXIBJFDBUMN-UHFFFAOYSA-N
ID: 50007
SMILES:C12CCC(C=O)=CC1c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -19.053
InChIKey:HQRKNUDGMPVIMO-UHFFFAOYSA-N
ID: 50008
SMILES:c12c(O)cc(CCCCC)cc1OC1(C)CC2C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.198
InChIKey:NUXUDGMVYZUFNQ-UHFFFAOYSA-N
ID: 50009
SMILES:c1(CO)cc(CCCCC)cc2c1-c1c(ccc(C)c1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.464
CB1 binding score: -16.015
InChIKey:AXHHRHHOGUWASJ-UHFFFAOYSA-N
ID: 50010
SMILES:C1(O)C(C)(C)OC2(O)C(C=C(C)C)Oc3c2c(O)cc(CCCCC)c31
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.466
CB1 binding score: -15.037
InChIKey:MVFVJXREZCHITB-UHFFFAOYSA-N
ID: 50011
SMILES:C1=C(C)CCC(=C(C)[CH]C2OC(=O)C(=C)C2CC=C(C)C)CCC2(C)Oc3c(c(OC)cc(CCCCC)c3)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 559.811
CB1 binding score: -16.069
InChIKey:YIMAGEQBGZUKAL-UHFFFAOYSA-N
ID: 50012
SMILES:CS(=O)(CCc1cc(O)c(C2C=C(C)CCC2C(=C)C)cc1O)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.48
CB1 binding score: -16.047
InChIKey:CQGMEMMPZVVCEI-UHFFFAOYSA-N
ID: 50013
SMILES:c1(CCCC)cc(O)c2c(c1O)C1C(CC=C(C)C2)C(C)(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.05
InChIKey:WMIVYWYFVZVUNG-UHFFFAOYSA-N
ID: 50014
SMILES:C1c2c(c(C(=O)O)cc(CCCCC)c2)OC(C)(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -15.304
InChIKey:ROPXIKBHFVUFDF-UHFFFAOYSA-N
ID: 50015
SMILES:C1=C(C)CCC2C1CC(C)(C)Oc1c2c(O)c(OC)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -14.753
InChIKey:HDZZISPDSLTSBO-UHFFFAOYSA-N
ID: 50016
SMILES:C1(=O)C2OC(=O)C13c1c(cc(CCCCC)cc1O)OC(C)(C)C2CC3
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.434
CB1 binding score: -13.835
InChIKey:YKQCHEDUSBSHSA-UHFFFAOYSA-N
ID: 50017
SMILES:C(COc1c2c(cc(CCCCC)c1)OC(C)(C)C1=C2C(=O)C(C)CCN1)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 385.504
CB1 binding score: -16.188
InChIKey:XWZYQCXMNUZXBG-UHFFFAOYSA-N
ID: 50018
SMILES:c1(=O)c2c(c3c(c(O)c1C(=C)C)OC(C)(C)C1C3C=C(C)CC1)OC(C)(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.527
CB1 binding score: -15.929
InChIKey:IRBNLVCEGJDQLA-UHFFFAOYSA-N
ID: 50019
SMILES:c1c(CCC)cc(O)c2c1OC(C)(C)C1CCC(C(O)=O)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -18.036
InChIKey:BTTRWQMCLAXICU-UHFFFAOYSA-N
ID: 50020
SMILES:C(=CC(C)=C)Oc1c(CCCC)c(O)c(CC=C(C)CCC=C(C)C)c(O)c1CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.679
CB1 binding score: -14.162
InChIKey:ZCUNGTIUPGJWBU-UHFFFAOYSA-N
ID: 50021
SMILES:C1C(C)=CCC2C(C)(C)Oc3c(c(OC)cc(O)c31)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -14.971
InChIKey:DRQLOOBXUHALPP-UHFFFAOYSA-N
ID: 50022
SMILES:C1C(C)=CCC2C(C)(C)Oc3c(ccc(C)c3)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.362
CB1 binding score: -17.589
InChIKey:ILPMEUDSBVWXIW-UHFFFAOYSA-N