ID: 52879
SMILES:O1C(C)(C)C(O)CC2C(=O)c3c(cc(CCC)cc3O)OC12C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.385
CB1 binding score: -14.934
InChIKey:SAFIUURBOBRXMV-UHFFFAOYSA-N
ID: 52880
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1C2(O)C=C(C)C(OC(=O)C(C)=CC)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.569
CB1 binding score: -13.762
InChIKey:RAOXABQCUFRELW-UHFFFAOYSA-N
ID: 52881
SMILES:c1(CCCCC)cc2c(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: 52882
SMILES:CCC=CCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -15.854
InChIKey:MDVBUHIUVYGMEE-UHFFFAOYSA-N
ID: 52883
SMILES:C(=CC)CCCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -14.435
InChIKey:CSAOQWJHLLEEDG-UHFFFAOYSA-N
ID: 52884
SMILES:c1(O)cc2c(cc1C(C)CO)OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -15.364
InChIKey:GQXXAUHDUQAQQS-UHFFFAOYSA-N
ID: 52885
SMILES:C12C(C)(C)Oc3c(c(O)cc(CCCC)c3)C1C=C(C(OC)=O)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.334
InChIKey:IVOMNWVMBRMVJJ-UHFFFAOYSA-N
ID: 52886
SMILES:C(Cc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(OC(=O)OC)c1)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.516
CB1 binding score: -14.17
InChIKey:DASYITIFIMGSFX-UHFFFAOYSA-N
ID: 52887
SMILES:CC1CC(=O)C(C(c2cc(O)ccc2)C)(OC)C(O)=C1CCCCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.62
InChIKey:BPFRKGBCRABJJV-UHFFFAOYSA-N
ID: 52888
SMILES:c1c(CCC)c(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -17.28
InChIKey:DCDBRWFMISWJED-UHFFFAOYSA-N
ID: 52889
SMILES:c1(C(CC(C)=C(C)C)C(C)C)c(O)cc(C)c2c1OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -15.349
InChIKey:UGQZYHLNKMXYOS-UHFFFAOYSA-N
ID: 52890
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1CC=C(C(O)=O)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.707
InChIKey:OGXXAQFMAFTSRU-UHFFFAOYSA-N
ID: 52891
SMILES:CC(=CCCC1(C)Oc2c(c(O)cc(CCCCC)c2)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.791
InChIKey:ORKZJYDOERTGKY-UHFFFAOYSA-N
ID: 52892
SMILES:CC(C1CCC(C)CC1c1c(O)cc(CCCCC)c(C(=O)OC)c1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.537
CB1 binding score: -17.18
InChIKey:PRBKWKBLFQYMHS-UHFFFAOYSA-N
ID: 52893
SMILES:CC(=CCCC(C)=CCc1c(CCCC)c(C=O)c(O)c(O)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 330.468
CB1 binding score: -12.942
InChIKey:HAJKJKZFRQUVJT-UHFFFAOYSA-N
ID: 52894
SMILES:c1(O)c(C(C(CC)C)=O)c2c3c(c1O)OC(C)(C)C1C3C(C(C)C2)CCC1CC(O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.612
CB1 binding score: -13.903
InChIKey:GHTMXDTVBSQHCV-UHFFFAOYSA-N
ID: 52895
SMILES:C1(=O)C2=C(c3c(cc(CCCCC)cc3O)OC2(C)C)C(O)=C(CC=C(C)C)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.51
CB1 binding score: -14.82
InChIKey:FUSJBGAFPMHIDP-UHFFFAOYSA-N
ID: 52896
SMILES:C(OC1C(C)=CC2C(C1)C(C)(C)Oc1c2cc(C(O)CCl)c(O)c1O)(C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.867
CB1 binding score: -14.49
InChIKey:GELIBRHMWSFPFV-UHFFFAOYSA-N
ID: 52897
SMILES:C1(C)Oc2c(c(OC(=O)C(C)C)cc(CCCCC)c2)C2C(C)C(C)(O)C3CC12CC3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -15.491
InChIKey:ZNBSBESEPALICW-UHFFFAOYSA-N
ID: 52898
SMILES:CC1(C)C(c2cc(CCCCC)ccc2O)C(C(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.502
CB1 binding score: -15.179
InChIKey:UFXJLUJGQOLQGN-UHFFFAOYSA-N
ID: 52899
SMILES:C12C=C(C)CCC1C(C)(C)Oc1cc(C(O)=O)ccc12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.344
CB1 binding score: -18.929
InChIKey:JHTLXLYXVMDBFT-UHFFFAOYSA-N