ID: 59935
SMILES:C(CCc1cc(O)c2c(c1)OC(CCC=C(C)C)(C)C=C2)(C(C)=C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -18.205
InChIKey:XJAQMOQXKYTRDE-UHFFFAOYSA-N
ID: 59936
SMILES:C(CCCCCCCC(=O)c1cc(O)c(C2C(C)(C)CCCC2=C)c(O)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -11.417
InChIKey:BIDXMQIXMWEOBJ-UHFFFAOYSA-N
ID: 59937
SMILES:CC(C=C1C2(Oc3c1c(O)cc(CCCCC)c3)OC(C)(C)C(OO)C2)CCCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.574
CB1 binding score: -15.511
InChIKey:OXJBLAAECRYHLK-UHFFFAOYSA-N
ID: 59938
SMILES:C(=Cc1c(O)c2c3c(c1C)C=CC(C)(C)O3)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.501
CB1 binding score: -16.613
InChIKey:JVGYRYZXHPSSOF-UHFFFAOYSA-N
ID: 59939
SMILES:CC(C)=CCCC(C)(C1=Cc2c(c(CC=C(C)C)cc(O)c2C#N)OC1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 365.517
CB1 binding score: -14.821
InChIKey:CIJUPRDMALKYPG-UHFFFAOYSA-N
ID: 59940
SMILES:C1(=C)C(O)C2C(C)(Oc3c(c(O)cc(CCCCC)c3)C2O)CC1CC=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.678
CB1 binding score: Not available
InChIKey:MBXYFABOXPDGKX-UHFFFAOYSA-N
ID: 59941
SMILES:C1CC(O)C(C)(C)OC2CCC3(C)Oc4c(c(O)c(C(C)O)cc4O)C3C=C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.476
CB1 binding score: -15.454
InChIKey:MLERSSAPFOJHRP-UHFFFAOYSA-N
ID: 59942
SMILES:COc1cc(OC)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -18.651
InChIKey:RBOIQFDUPWFAHT-UHFFFAOYSA-N
ID: 59943
SMILES:Oc1c(C(O)=O)c(CCCCC)cc(O)c1CC=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -19.234
InChIKey:SEEZIOZEUUMJME-UHFFFAOYSA-N
ID: 59944
SMILES:C(C)(=CCc1cc(CCCCC)ccc1O)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 300.486
CB1 binding score: -19.441
InChIKey:VPIIPBDTVZXIEC-UHFFFAOYSA-N
ID: 59945
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(C(=C)C)CCC(O)(C)C1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.142
InChIKey:RBEAVAMWZAJWOI-UHFFFAOYSA-N
ID: 59946
SMILES:CC(Oc1c(CC=C(C)CCC=C(C)C)c(O)cc(CCC)c1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.424
InChIKey:YJQPPBHWUXZYBD-UHFFFAOYSA-N
ID: 59947
SMILES:COc1c(OCC=C(CCC=C(C)C)C)cc2c(c1C(O)=O)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.607
CB1 binding score: -14.962
InChIKey:AQMCYIHSZBHVEM-UHFFFAOYSA-N
ID: 59948
SMILES:C1(CCC=C(C)C)(C)Oc2cc(CCCCC)c(C(=O)O)c(O)c2C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -16.577
InChIKey:CRCVVYXKRNFYFQ-UHFFFAOYSA-N
ID: 59949
SMILES:C(CCC)CCc1c(O)c2c(c(O)c1)C1C(C(C)(C)O2)CCC(COC(C)=O)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -15.929
InChIKey:NCYUMRHTTBBHDM-UHFFFAOYSA-N
ID: 59950
SMILES:C(C)(=C)C1CCC(C)=CC1c1c(O)cc(CCCCCO)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.184
InChIKey:ZKGKOAJUWMGRFB-UHFFFAOYSA-N
ID: 59951
SMILES:C12(C)Oc3cc(CCCCC)cc(O)c3C(=O)C1CC(C(C)(O)C)C=C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.562
InChIKey:VBOVVGNUVQIWKY-UHFFFAOYSA-N
ID: 59952
SMILES:C=C(C)C1C2c3c(O)cc(CCCCC)cc3OC(C)(O2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -17.078
InChIKey:YZQTVMSDGCKDQL-UHFFFAOYSA-N
ID: 59953
SMILES:C(CCCC)Cc1cc(O)c(CC2CC(=C)CCC2C(O)(C)C)c(C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.565
CB1 binding score: -16.22
InChIKey:DWRRXYRCMLXPSU-UHFFFAOYSA-N
ID: 59954
SMILES:C1CC(C)CC2C1C(C)(C)Oc1c2c(OC)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -18.511
InChIKey:FJNYRBFCDFVKTA-UHFFFAOYSA-N
ID: 59955
SMILES:C(=O)C1=CCC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -13.82
InChIKey:IANVYHFPTVEMJT-UHFFFAOYSA-N