ID: 66046
SMILES:CCC(=CCCC(C)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 374.521
CB1 binding score: -15.813
InChIKey:XRRHJYCVLFXRCP-UHFFFAOYSA-N
ID: 66047
SMILES:C(O)C1=CC2C(C(C)(C)Oc3cc(CCC)cc(O)c32)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -17.9
InChIKey:UWBCYGUAEGZJRC-UHFFFAOYSA-N
ID: 66048
SMILES:c1c2c(c(CCCCC)cc1O)OC(C)(C)C1CCC(C(=O)O)=CC(O)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -13.585
InChIKey:UTQQLMZEFJSXDJ-UHFFFAOYSA-N
ID: 66049
SMILES:C1C(=O)C(CO)C23CC2C(C(=O)OC)=Cc2c(cc(CCCCC)cc2O)OC(C)(C)C13
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.552
CB1 binding score: -15.864
InChIKey:LGYZGHXTMYNFQN-UHFFFAOYSA-N
ID: 66050
SMILES:c12c(c(CCCCC)cc(O)c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.165
InChIKey:VBYUZBSQYMNTJZ-UHFFFAOYSA-N
ID: 66051
SMILES:C(O)(c1ccc2c(c1)OC(C)(C)C1CCC(C)=CC12)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.344
CB1 binding score: -18.929
InChIKey:JHTLXLYXVMDBFT-UHFFFAOYSA-N
ID: 66052
SMILES:C1C(C)=CC(c2c(OC)cc(CCC)cc2O)C(C(=C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.854
InChIKey:OZYYEDPTJXVZJQ-UHFFFAOYSA-N
ID: 66053
SMILES:C1(O)CC(C(=C)C)C(c2c(O)cc(CCCCC)cc2)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.628
InChIKey:IERRHQRZTSKZCS-UHFFFAOYSA-N
ID: 66054
SMILES:C(CCc1cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -18.264
InChIKey:JSQZQNWIVUSPJH-UHFFFAOYSA-N
ID: 66055
SMILES:C(Oc1c(C=O)c2c(cc1C)OC(C)(C)C1C2CC(C)CC1)(C)CCCCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.63
CB1 binding score: -18.306
InChIKey:PWZQDWLWLNCXCL-UHFFFAOYSA-N
ID: 66056
SMILES:CC(=CC1c2c(O)cc(CC)cc2OC23CCC(C(CCCC(C)C)C)C12C(O)OC3=O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.623
CB1 binding score: -12.648
InChIKey:PXWZUTCIGIAJEB-UHFFFAOYSA-N
ID: 66057
SMILES:C12C(OC(=O)C1C)C(O)CC(C)C1=C2C(C)C2(OC1C)c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.579
CB1 binding score: -17.18
InChIKey:DFYUNSAJGVZRCC-UHFFFAOYSA-N
ID: 66058
SMILES:C(C(C)=CC1Oc2c(c(OC)cc(CCCCC)c2)C(=O)O1)=CC(C(O)(C)C)O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.503
CB1 binding score: -15.661
InChIKey:ONBCYNKZSMYIQK-UHFFFAOYSA-N
ID: 66059
SMILES:C(CCC(=CCCC(=CCc1c(O)c(C)cc(O)c1)C)C1(C)CCC(=O)O1)C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -13.202
InChIKey:DQXKNRHROSNRDR-UHFFFAOYSA-N
ID: 66060
SMILES:CC(C)(CCc1c(O)cc2c(c1O)C1=C(CC(C)(C)CC1C)C(C)(C)O2)C(C)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.575
CB1 binding score: -14.649
InChIKey:BSULFGQSPYJETN-UHFFFAOYSA-N
ID: 66061
SMILES:CC(=CCCC(=CCc1c(O)c(O)c(C(C)(CO)CCCCC)cc1O)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.564
CB1 binding score: -14.878
InChIKey:MHTBUJRUGVPKBZ-UHFFFAOYSA-N
ID: 66062
SMILES:C1(C)(C)C2(C3OC3C(C(OC)=O)=CCC2)c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -13.765
InChIKey:SBRWQMLSVHGXIY-UHFFFAOYSA-N
ID: 66063
SMILES:C12(C)OC3C=C(C)CCC4C1C(C(C)(C)Oc1cc(C(CC)C)c(O)c(c14)O2)C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -13.707
InChIKey:FCFCWRAZMHPZLA-UHFFFAOYSA-N
ID: 66064
SMILES:C(CC(C)=CCc1c(CC)c(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -15.955
InChIKey:RUSYDTUEZJZSOF-UHFFFAOYSA-N
ID: 66065
SMILES:CC1C2CC=C(C)CC2c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -18.495
InChIKey:DYGODEDBSNAVON-UHFFFAOYSA-N
ID: 66066
SMILES:C12C(c3c(cc(CCCCC)cc3OC)O1)CC(CO)=CC2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -15.271
InChIKey:BZHGNFZMCWGRHN-UHFFFAOYSA-N