ID: 45907
SMILES:CCCCCC=Cc1cc(O)c2c(c1)OC(C)(C)C1C=CC(C)(O)CC21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -14.655
InChIKey:QKMLXMVGLPLZRV-UHFFFAOYSA-N
ID: 45908
SMILES:C1(Br)(C)C2C(c3c(cc(C)cc3O)OC2(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 325.246
CB1 binding score: -15.633
InChIKey:XZEBZGFXQSJXLS-UHFFFAOYSA-N
ID: 45909
SMILES:C1=C(C)CCC=CCC(O)C2C(C)(C)Oc3c(C(OC)=O)ccc(O)c3C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -17.565
InChIKey:QSWSBJRYYOSXQN-UHFFFAOYSA-N
ID: 45910
SMILES:CC(=C)C1C(c2c(O)cc(CC)cc2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -15.841
InChIKey:CQHYAENQWNDKHF-UHFFFAOYSA-N
ID: 45911
SMILES:O1C2(C(=O)c3c(O)cc(CCCCC)cc31)C(C)CCC1=C2CCC(C)(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.544
CB1 binding score: -12.629
InChIKey:XRGUBZXAXVRGOF-UHFFFAOYSA-N
ID: 45912
SMILES:Oc1c2c(cc(CCCC)c1)OC(C)(C1CC=C(C)CC1)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -12.536
InChIKey:URNKLLSXORDYNZ-UHFFFAOYSA-N
ID: 45913
SMILES:CCCCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 45914
SMILES:C(CC)C(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)CC1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -15.808
InChIKey:INTRDPQERAGVOL-UHFFFAOYSA-N
ID: 45915
SMILES:CC1(C)C2C3(C)C(O)(CCC2=CC1=O)c1c(O)cc(CCCCC)cc1O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -15.786
InChIKey:BXYRLIKNKGIIFO-UHFFFAOYSA-N
ID: 45916
SMILES:CC1CCC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -19.029
InChIKey:HCVJHHUJBXZYBI-UHFFFAOYSA-N
ID: 45917
SMILES:C(CC(=O)C(C)C1c2c(O)c(C(=O)O)c(CCCCC)cc2OC(C)(C)C1)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.585
CB1 binding score: -13.934
InChIKey:XHGLWEXTZYBESK-UHFFFAOYSA-N
ID: 45918
SMILES:C1(C)=CC2C(CC1)C(C)=CC(CC(=CCc1c(OC)c(C)cc(O)c1)C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.517
CB1 binding score: -15.333
InChIKey:AGPMUCANTMWKBC-UHFFFAOYSA-N
ID: 45919
SMILES:CC=CCCC(C)=CCc1c(O)c(C(O)=O)c(CCCCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 346.467
CB1 binding score: -13.749
InChIKey:BBMVIKCBHLWYKQ-UHFFFAOYSA-N
ID: 45920
SMILES:c1(O)c2c(cc(O)c1CC=C(C)CCC=C(C)C)OC(C)(C)C1C2C=C(C(=O)OC)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.58
CB1 binding score: -14.564
InChIKey:UZBSFZPORITTAZ-UHFFFAOYSA-N
ID: 45921
SMILES:CC(C1C(c2c(O)cc(CCCC)cc2O)C=C(C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -18.479
InChIKey:QHFVULIOBFWRAD-UHFFFAOYSA-N
ID: 45922
SMILES:c1c(C2C=C(C)CCC2C(C)=C)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -19.107
InChIKey:AKCTZOKCVCWTGX-UHFFFAOYSA-N
ID: 45923
SMILES:c12c(cc(O)c(O)c1)C=CC(CCC=C(C)CCC1OC1(C)C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.317
InChIKey:HADJYMJTDZMFLQ-UHFFFAOYSA-N
ID: 45924
SMILES:c1c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)(O)C1(O)CCC(=C)C=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -15.937
InChIKey:QURYAAZNKQZSMD-UHFFFAOYSA-N
ID: 45925
SMILES:c1(CCCC)cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.739
InChIKey:WBRXESQKGXYDOL-UHFFFAOYSA-N
ID: 45926
SMILES:C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)c(C(OC)=O)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -17.556
InChIKey:GSBCCWIIKCFQKI-UHFFFAOYSA-N
ID: 45927
SMILES:C(CCC(C)=CCCC1(C)Oc2c(c(O)cc(CCCCC)c2)CC1=C)=C(CO)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.614
CB1 binding score: -15.552
InChIKey:LBEHPFXEBGCWOX-UHFFFAOYSA-N