ID: 80830
SMILES:C(Cc1c(O)cc(CCCCC)cc1)=C(C)CCC=C(C)C
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: 80831
SMILES:C(C=CC=CC(OC1C(COC(=O)C)=CC2C3c4c(cc(CCCCC)cc4O)OC(C)(C)C3CCC(=C)C2C1)C)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 602.856
CB1 binding score: -14.698
InChIKey:PQOGFTBUFMGZJJ-UHFFFAOYSA-N
ID: 80832
SMILES:C(C)(=CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.572
CB1 binding score: -16.015
InChIKey:DLLOZECVDPAWOY-UHFFFAOYSA-N
ID: 80833
SMILES:c1(Cl)c(C)cc2c(c1)C(C)(C)Oc1c(c(OCNCC=C(C)C)ccc1)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 385.935
CB1 binding score: -13.785
InChIKey:HXKPASLNTSNUMX-UHFFFAOYSA-N
ID: 80834
SMILES:c1(O)c2c(c(C)c(O)c1)C1C(CC(C(C)C)=C1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -14.407
InChIKey:UFSLJTYHXOXJAN-UHFFFAOYSA-N
ID: 80835
SMILES:C(CCCC)c1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 80836
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(CO)=CC1)CC(C)(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.535
InChIKey:SNOFEJDRLMEFON-UHFFFAOYSA-N
ID: 80837
SMILES:C12(C(=C)COc3c1c(O)cc(CCCCCC)c3)CCC1(C)C(C(C)CCC1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -14.533
InChIKey:CGMWICAEICKMHE-UHFFFAOYSA-N
ID: 80838
SMILES:c1(C)cc(CC(O)C(=C)C)cc(O)c1C1C(C(C)(C)O)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -14.665
InChIKey:BUCHHSQHYZYDTI-UHFFFAOYSA-N
ID: 80839
SMILES:C1(C(C)=C)C(c2c(O)cc(CCCC)cc2O)C=C(C)C(=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -18.369
InChIKey:YUWDHDPGZUPROY-UHFFFAOYSA-N
ID: 80840
SMILES:C(CC)Cc1cc(O)c(C2C=C(C)CCC2C(C)(O)C)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -15.762
InChIKey:WNNCEGJXYATLBJ-UHFFFAOYSA-N
ID: 80841
SMILES:C(CCCC)c1cc(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: 80842
SMILES:CC(C)CC(=O)c1c2c(c(C(=O)C(C)C)cc1O)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: Not available
InChIKey:OYSJVDREPNDXRK-UHFFFAOYSA-N
ID: 80843
SMILES:C12C=C(C)CCC1c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.096
InChIKey:OPOIPENSMKDQLW-UHFFFAOYSA-N
ID: 80844
SMILES:CC(C)C1=CC2(C(C)=CC(=O)C3C2(C)CCC2(O)Oc4cc(CCCCC)cc(O)c4C23)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.591
CB1 binding score: -15.887
InChIKey:DGDPHWVUWCSSBJ-UHFFFAOYSA-N
ID: 80845
SMILES:C12OC(C(C)C1O)Oc1cc(CCCCC)cc(O)c1C2c1ccccc1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.473
CB1 binding score: -16.74
InChIKey:NSBPFZNFUBPSJP-UHFFFAOYSA-N
ID: 80846
SMILES:CCCCCCc1cc2c(c3c1OC(C)(C)C1CC=C(CCC(C(CO)=C)C1)O3)C(=O)C(OC)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 480.645
CB1 binding score: -13.433
InChIKey:HUUXCUKKKRQDTD-UHFFFAOYSA-N
ID: 80847
SMILES:c1(C2C(C3(C)OC(CCCC(O)(C)C)(C)C(Br)CC3)cc(CCCCC)o2)c(O)cc(C)c(Br)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 616.475
CB1 binding score: -14.641
InChIKey:RCKQODFZCVTBMT-UHFFFAOYSA-N
ID: 80848
SMILES:C12=C(C)C(=O)C(Oc3cc(CCCCC)ccc3O)C3C(CC(C)C3=C1)OC(C)(C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.581
CB1 binding score: -15.652
InChIKey:STKPTVZSLKQTQT-UHFFFAOYSA-N
ID: 80849
SMILES:C1(C)=CC(c2c(O)cc(CCC)cc2O)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.532
InChIKey:REOZWEGFPHTFEI-UHFFFAOYSA-N
ID: 80850
SMILES:C1C(C)(C)Oc2cc(CCCCC)c(C(=O)O)c(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 278.348
CB1 binding score: -18.13
InChIKey:BQOIKHJQWFSXOS-UHFFFAOYSA-N