ID: 130033
SMILES:c1c(C#CC(=C)C)cc(Oc2c(CC=C(C)CCC=C(C)C)c(O)cc(CCCCC)c2)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.67
CB1 binding score: -13.885
InChIKey:JEUPBXRHGVZGFN-UHFFFAOYSA-N
ID: 130034
SMILES:C1(O)(CCC2(C)C=Cc3c(OC)cc(CCCCC)cc3O2)C(C)(C)CCCC1=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.614
CB1 binding score: -13.56
InChIKey:ABQLSIAZCNGALV-UHFFFAOYSA-N
ID: 130035
SMILES:C(C)(CCCC(C)=CCc1cc(C(O)=O)c(CCC)cc1O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -16.264
InChIKey:GPGJFODQAQKNHY-UHFFFAOYSA-N
ID: 130036
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2C=C(C)C(O)CC12C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.22
InChIKey:FNTKLWSDAZBCOL-UHFFFAOYSA-N
ID: 130037
SMILES:c1c(Cc2c3c(c(C(CCC)=O)c(OCC=C(CCC=C(C)C)C)c(O)c3C=O)c(C=O)c(O)c2)cc(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 678.866
CB1 binding score: -15.038
InChIKey:SUPWEHYKMUGRBD-UHFFFAOYSA-N
ID: 130038
SMILES:C1CC(O)C(C)(C)OC2C1(C)Oc1c(C(=O)C(C)CC)c(O)cc(O)c1C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.465
CB1 binding score: -13.88
InChIKey:JQRGGTWJHYACNW-UHFFFAOYSA-N
ID: 130039
SMILES:c1c(O)c(CC=C(C)C)cc(O)c1CC=C(CCC=C(C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.051
InChIKey:TXLIVWXFPYVBTA-UHFFFAOYSA-N
ID: 130040
SMILES:C12C(C(C(C)C)C(c3c(O)cc(CCCCC)cc3O)O1)C=C(C)C1CC=C(C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.625
CB1 binding score: -15.514
InChIKey:KYMVCWOFOHAFQT-UHFFFAOYSA-N
ID: 130041
SMILES:OC1CC(O)C(C)(C)Oc2ccc(CCCCC)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 278.392
CB1 binding score: -15.048
InChIKey:JNURTVPQWKCPEW-UHFFFAOYSA-N
ID: 130042
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2)CC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -15.467
InChIKey:ZXZCNONMNGNQHX-UHFFFAOYSA-N
ID: 130043
SMILES:c12c(=O)cc(C)c(CCCCC)cc1OC(C)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -18.058
InChIKey:RUPAOOAGVPXLOS-UHFFFAOYSA-N
ID: 130044
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C(C=C)(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -14.995
InChIKey:XNUQXLLQQCVBFT-UHFFFAOYSA-N
ID: 130045
SMILES:c1c(CCCCC)cc2c(c1O)OC1(C)CCC2C(C)(C)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -14.976
InChIKey:MYVUTQNBEINPPY-UHFFFAOYSA-N
ID: 130046
SMILES:C1C(C(CO)=C)C(c2c(O)cc(CCCCC)cc2O)C(C(C)=C)C(CC(=C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.614
CB1 binding score: -17.052
InChIKey:IGQVSCAUPRRKCC-UHFFFAOYSA-N
ID: 130047
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2C(C(=C)C)CCC3(C)OC13CC=C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -15.608
InChIKey:UQOSHNSTESSQQB-UHFFFAOYSA-N
ID: 130048
SMILES:C(C(O)=O)(C)CCCC(C1CCC(C)=CC1c1c(O)cc(C)cc1O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -14.193
InChIKey:RCDZQSGVBGWIMP-UHFFFAOYSA-N
ID: 130049
SMILES:c1(C2C(=C(C)C)CCC(C)=C2)c(O)cc(CCCCC)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -16.887
InChIKey:BTJQTGCWAMGCJY-UHFFFAOYSA-N
ID: 130050
SMILES:O(C(=O)C)C1CC(C(C)=C)C(c2c(O)ccc(CCCCC)c2)C1C(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -16.308
InChIKey:WLWYMOOMUVCMQV-UHFFFAOYSA-N
ID: 130051
SMILES:O1C(C)(C)C(O)CC1c1c(O)cc(CCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 266.337
CB1 binding score: -16.658
InChIKey:LHVJKSJDAXHAOZ-UHFFFAOYSA-N
ID: 130052
SMILES:C1(CCC=C(C)C)(C)Oc2c(c(O)cc(CCCCC)c2)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 130053
SMILES:C=C(C1CCC2(C)C1c1c(O)cc(CCCCC)cc1OC2(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -16.212
InChIKey:LCDPVAAVZNYKGK-UHFFFAOYSA-N