ID: 35701
SMILES:c1(O)cc(CC)cc(O)c1CC=C(C)CCC=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 342.523
CB1 binding score: -18.238
InChIKey:JDHVKMUCXDUDSU-UHFFFAOYSA-N
ID: 35702
SMILES:C(CC)CCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 35703
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)(O)C=C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.296
InChIKey:FZAGTOJLWTUWJG-UHFFFAOYSA-N
ID: 35704
SMILES:C12(c3c(cc(CCCCC)cc3O)OC1(C)C)CC(C(C)=C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -17.334
InChIKey:WMDNIQQIBIBAMO-UHFFFAOYSA-N
ID: 35705
SMILES:CC1=CC2C(C(C)(C)Oc3c2c(C=O)c(O)cc3O)C(O)CC(C)=CCC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -11.067
InChIKey:CCPKGCMEESCHAQ-UHFFFAOYSA-N
ID: 35706
SMILES:c1c(CCCC(C)(C=C)C)c2c(c(OC)c1O)C13CCC(O)C(C)(C)OC1(C)C=CC3=CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.635
CB1 binding score: -14.683
InChIKey:IVMDJYPLIGWLRD-UHFFFAOYSA-N
ID: 35707
SMILES:C(CCC=C(C)C)(C)=CCc1c(O)c(C(O)=O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 344.495
CB1 binding score: -19.654
InChIKey:TURBAOCYHPEVOM-UHFFFAOYSA-N
ID: 35708
SMILES:C(CC)CCc1cc2c(c3c1cco3)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 338.491
CB1 binding score: -15.723
InChIKey:LZYGZJPQKPOLKT-UHFFFAOYSA-N
ID: 35709
SMILES:O(C(c1cc(O)c2c(c1)OC(C)(C)C1C=CC(C)=CC21)C)Cc1ccccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.496
CB1 binding score: -15.514
InChIKey:YORUEXFJKYOGFX-UHFFFAOYSA-N
ID: 35710
SMILES:C(C=C(C)C)CC(C)=CCc1c(O)cc(CCCCC)c(C(=O)O)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -19.234
InChIKey:SEEZIOZEUUMJME-UHFFFAOYSA-N
ID: 35711
SMILES:C12(c3c(cc(CCCCC)cc3O)OC1(C)C)CC(C(C)=C)C1C(C(O)(C)CC2)C=C1C(O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 482.705
CB1 binding score: -13.266
InChIKey:AXOHPGNPOCDYKV-UHFFFAOYSA-N
ID: 35712
SMILES:C1=C(C)C(OC(=O)CC=C(O)C)C2c3c(cc(CCCCC)cc3O)OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.569
CB1 binding score: -14.996
InChIKey:LAUKMRSZJXOIFQ-UHFFFAOYSA-N
ID: 35713
SMILES:C(C1CC=C(C)CC1c1c(O)cc(CCCCC)cc1)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -17.994
InChIKey:NUAFSIHBNPRBHS-UHFFFAOYSA-N
ID: 35714
SMILES:Oc1c(C(=O)CC(C)C)c(O)c2c(c1O)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -15.502
InChIKey:BGKNWRJPQVMSQP-UHFFFAOYSA-N
ID: 35715
SMILES:c1(C(=O)CC(C)C)cc(C2C(C(C)=C)CCC(C)=C2)c(O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -17.523
InChIKey:INBBTOMOXCREIU-UHFFFAOYSA-N
ID: 35716
SMILES:c1c2cc(c(C3C(C(C)=C)CCC(C)=C3)[nH]2)ccc1CCCCC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 321.508
CB1 binding score: -12.413
InChIKey:XNSCNDNUGKRZEC-UHFFFAOYSA-N
ID: 35717
SMILES:C1C(C)=CCC(=C(C)C)C(c2c(CCCCC)cc(O)cc2O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.219
InChIKey:BFTCEHYADHOWPD-UHFFFAOYSA-N
ID: 35718
SMILES:CC12Oc3c(c(OC(=O)C)cc(CCCCC)c3)C3C=C(C(C)(O)CCC1O2)CC3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.542
CB1 binding score: -15.207
InChIKey:HBAHZBAAUHHVFB-UHFFFAOYSA-N
ID: 35719
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 35720
SMILES:Oc1cccc(CCNC(C2CC=C(C)CCC=C(C)C)(C)C2)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 327.512
CB1 binding score: -13.023
InChIKey:VWYDXQMCMMKLRP-UHFFFAOYSA-N
ID: 35721
SMILES:C1(C)=CC2C(CC1)C(C)(C)Oc1c2c(O)cc(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -19.859
InChIKey:WRBRAMOWKIFTPD-UHFFFAOYSA-N