ID: 33685
SMILES:C(C)OC(C(c1cc(CCCC)ccc1)=O)C(=CCCC(=CCc1c(O)c(C)cc(O)c1)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.646
CB1 binding score: -15.591
InChIKey:GUHUWFQWYVORPB-UHFFFAOYSA-N
ID: 33686
SMILES:O=C(OC)c1cc2c(cc1CCCCC)OC(C)(C)C2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -17.162
InChIKey:BBWALKQFWAZFNZ-UHFFFAOYSA-N
ID: 33687
SMILES:CC(=CCCC(=CCc1c(O)cc(CCC)c(C(O)=O)c1O)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -19.667
InChIKey:FAVCTJGKHFHFHJ-UHFFFAOYSA-N
ID: 33688
SMILES:CC(=CCCC1(C)Oc2cc(CCCCC)cc(O)c2C1CC(=O)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -16.015
InChIKey:UATIIRPRMHUJDU-UHFFFAOYSA-N
ID: 33689
SMILES:CC1=CC2C(C(C)(C)Oc3cc(CCc4ccccc4)c(O)c(C=O)c32)CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.495
CB1 binding score: -16.124
InChIKey:IPJVDZKXEVLKIH-UHFFFAOYSA-N
ID: 33690
SMILES:O(C)c1c(OC)c(C)cc(O)c1C1C=C(C)CCC1C(C)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -16.998
InChIKey:UXDNDEGUZCWZEF-UHFFFAOYSA-N
ID: 33691
SMILES:c1(OC)cc2c(cc1OCC(C(O)(C)C)O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -16.63
InChIKey:MORAVKOACJMPEC-UHFFFAOYSA-N
ID: 33692
SMILES:CC1(C)Oc2c(c(O)cc(CCCC)c2)C2C1CCC1(C)CCCC(=C)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -15.42
InChIKey:PTTSAWYXLGHFOR-UHFFFAOYSA-N
ID: 33693
SMILES:C(Cc1ccccc1)CC(CCC1=C(C)CC(C)C(C)(C)O1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.513
CB1 binding score: -15.369
InChIKey:JACIGSSZWKKJDV-UHFFFAOYSA-N
ID: 33694
SMILES:Oc1c(CC=C(CCC=C(C)C)C)ccc(CCCCC)c1
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: 33695
SMILES:CCCCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.821
InChIKey:CUWJKLPAOPPJHN-UHFFFAOYSA-N
ID: 33696
SMILES:C(CC(=O)O)C1C(C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.402
CB1 binding score: -16.356
InChIKey:AGCCWDQXYGQZNA-UHFFFAOYSA-N
ID: 33697
SMILES:c1(CCCC(C)=C)c(O)cc(CCCCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 262.393
CB1 binding score: -18.21
InChIKey:CJIYDQZJDCAFIJ-UHFFFAOYSA-N
ID: 33698
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(CC(C(=C)C)C=C1C)OC2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -15.665
InChIKey:PAIXHIVTKYAJCT-UHFFFAOYSA-N
ID: 33699
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 33700
SMILES:C12c3c(cc(CCCCC)cc3O)OC(C)(C)C1CCC(C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.597
InChIKey:LQROZGZXFUAWIS-UHFFFAOYSA-N
ID: 33701
SMILES:C1C=C(C)CC2c3c(O)cc(C)cc3OC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.619
InChIKey:MMZAEMNNHWYQKW-UHFFFAOYSA-N
ID: 33702
SMILES:C(c1cc2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 312.453
CB1 binding score: -18.585
InChIKey:HVEYNLWUTOKMJT-UHFFFAOYSA-N
ID: 33703
SMILES:O(C)c1cc(CC)cc2c1C1C(C(C)(C)O2)CCC(C=O)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -16.503
InChIKey:VXBBSHCGQWGFIR-UHFFFAOYSA-N
ID: 33704
SMILES:C1CC(C)=CC(c2ccc(CCCCC)cc2)C1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -19.804
InChIKey:VGBLUPCGCQUYRW-UHFFFAOYSA-N
ID: 33705
SMILES:C1(C)CC2C(C(C)(C)Oc3c(O)c(OC)cc(CCCCC)c32)C=C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.216
InChIKey:QYXQTOVCDSLHHJ-UHFFFAOYSA-N