ID: 80011
SMILES:C1(C=CCl)C(C)(Cl)CC(c2c(O)cc(CCCCC)cc2O)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 359.293
CB1 binding score: -15.421
InChIKey:WOPMMTIBHPXZNW-UHFFFAOYSA-N
ID: 80012
SMILES:C(CC=C(C)C)C(=CCN(CC1=CC2C(C(CO)=C)CCC(CO)=C2C(=O)C1)C)C#N
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.585
CB1 binding score: -15.044
InChIKey:NCBCTLJGXLBUHA-UHFFFAOYSA-N
ID: 80013
SMILES:c1(C)c(CCCCC)cc2c(c1O)C1C(C(C)(O)CCC1C(CCC=C(C)COC(=O)C)C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.666
CB1 binding score: -14.689
InChIKey:DFQPCRQABUOYNV-UHFFFAOYSA-N
ID: 80014
SMILES:c1c(C2C=C(C)CCC2C(=C)C)c(O)c(O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -17.03
InChIKey:FXCDESBUPRREJQ-UHFFFAOYSA-N
ID: 80015
SMILES:C1CC2(C)Oc3c(c(O)cc(CCCCC)c3)C3C1C2CC(C)(C)C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -15.439
InChIKey:CUAZFBKZEAGUEA-UHFFFAOYSA-N
ID: 80016
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 80017
SMILES:C(=O)(C)Oc1cc(CCCCC)cc(OC(C)(C)C2CC=C(C)CC2)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -17.407
InChIKey:VIDMQNFRTZRGQQ-UHFFFAOYSA-N
ID: 80018
SMILES:C(=CCc1c(O)cc(CCCCC)cc1O)(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 80019
SMILES:C12c3c(cc(CCCCC)cc3O)OC(C)(C)C3C(CC(C)(C3)C1OC(C)=O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -16.109
InChIKey:HFVPLIAHUGWDQL-UHFFFAOYSA-N
ID: 80020
SMILES:O(C(=O)C=Cc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)CCCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -16.502
InChIKey:SWJRRZCUTHPHQB-UHFFFAOYSA-N
ID: 80021
SMILES:Oc1c(C2C(C(C)=C)CCC(C)=C2)c(O)ccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -19.225
InChIKey:BEXSRXTVRHPHGL-UHFFFAOYSA-N
ID: 80022
SMILES:O(C(=O)C)C1CC(C(C)=C)C2c3c(O)cc(C)cc3OC2(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -16.217
InChIKey:MFVWMHOLWDDFJB-UHFFFAOYSA-N
ID: 80023
SMILES:CC(=C)C1C(c2c(OC)ccc(CCOC)c2)C=C(C)CC1CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.577
CB1 binding score: -15.748
InChIKey:JQCVSOMSGKIPRS-UHFFFAOYSA-N
ID: 80024
SMILES:CC(=CCCC(C)=C)C(C)c1c(O)cc(CCCCC)c(C(O)=O)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -14.658
InChIKey:DFVRHDWGAWFLRR-UHFFFAOYSA-N
ID: 80025
SMILES:CC(=O)OC1CC2c3c(cc(CCCCC)cc3O1)OCC2C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -14.56
InChIKey:GWWBRPKDRQYMLA-UHFFFAOYSA-N
ID: 80026
SMILES:C(C)CCCc1cc(O)c(CC=C(C)CCC(=O)C(C)(OC)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -15.336
InChIKey:MZDNNLUQSPWCTR-UHFFFAOYSA-N
ID: 80027
SMILES:C12CC(C)CCC1C(C)(C)Oc1cc(CCCCC)c(C(=O)O)cc12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -17.07
InChIKey:QSEQGMAMGSDVIO-UHFFFAOYSA-N
ID: 80028
SMILES:CCCCCc1cc(O)c(CC=C(CCC=C(C)C)C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 300.486
CB1 binding score: -19.003
InChIKey:KXYIDYXHLDYCQN-UHFFFAOYSA-N
ID: 80029
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 80030
SMILES:C12=C(OC(C)(C)C3CCC(C)=CC31)C(=O)C(C(=O)C(CC)C)=C2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -16.276
InChIKey:YYXRHYFVQOMRCS-UHFFFAOYSA-N
ID: 80031
SMILES:C(C)Cc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.321
InChIKey:ZROLHBHDLIHEMS-UHFFFAOYSA-N