ID: 43891
SMILES:c12cc(CCCCC)cc(O)c1OC1(C)C(C2)C2(C)C(O)(C(O)C1)CC(C(O)(C)C)OC2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 462.583
CB1 binding score: -13.142
InChIKey:JNSPHKPJCSKUKU-UHFFFAOYSA-N
ID: 43892
SMILES:O=C1C2=C(C)C3(Oc4c(c(O)cc(CCCCC)c4)C3C=C(C(C)C)C(=O)C2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.538
CB1 binding score: -15.285
InChIKey:NAASDGYLIDRWCE-UHFFFAOYSA-N
ID: 43893
SMILES:C1C(C)=CCC(C(C)=C)C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.129
InChIKey:ZTGXAWYVTLUPDT-UHFFFAOYSA-N
ID: 43894
SMILES:C(C)CCCc1c(C)cc2c(c1O)C1=C(C(C)(C)O2)CCC(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.269
InChIKey:LMVMWRRBYXUKHS-UHFFFAOYSA-N
ID: 43895
SMILES:c1(CCCCC)cc2c(c(O)c1)C1CC(C)(O2)CCC1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.198
InChIKey:NUXUDGMVYZUFNQ-UHFFFAOYSA-N
ID: 43896
SMILES:CC1=C(C)CC2C(C)(C)Oc3cc(CCCCC)c(=O)cc(C)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -13.745
InChIKey:COHCVOLKJMCRCR-UHFFFAOYSA-N
ID: 43897
SMILES:CC=C(O)CC1c2c(O)cc(CCCCC)c(C(=O)O)c2OC(C)(C)C1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.465
CB1 binding score: -15.189
InChIKey:INWFWSIESRAJQK-UHFFFAOYSA-N
ID: 43898
SMILES:C(CCC)Cc1cc(O)c(CC=C(C)CCC=C(C)C(O)CC(O)C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.618
CB1 binding score: -14.902
InChIKey:ORXYHMIWRDPHIX-UHFFFAOYSA-N
ID: 43899
SMILES:C(c1c(O)c(C2C(C(C)C)CCC(C)=C2)c(O)cc1O)C=C(C)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -17.347
InChIKey:YVODSFDYVJCQJH-UHFFFAOYSA-N
ID: 43900
SMILES:Oc1cc(CCCCC)c(C=O)c(O)c1CC1C(C)(CCC=C(C)C)C(=O)C=C2OCOC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.579
CB1 binding score: -14.33
InChIKey:BWKQUHDTTUKWNR-UHFFFAOYSA-N
ID: 43901
SMILES:c12c(cc(C)cc1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.362
CB1 binding score: -17.589
InChIKey:ILPMEUDSBVWXIW-UHFFFAOYSA-N
ID: 43902
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)(C)O)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -18.046
InChIKey:MXECOWWPQRFPTG-UHFFFAOYSA-N
ID: 43903
SMILES:c12c(cc(CCCCC)cc1O)OC(CCC=C(C)C)(C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.002
InChIKey:ITDDKOGKAGSKEJ-UHFFFAOYSA-N
ID: 43904
SMILES:C(=O)(C)OCC1=CC2c3c(cc(CCCCCC)cc3OC)OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -14.031
InChIKey:FWLGOEYEWJDPCY-UHFFFAOYSA-N
ID: 43905
SMILES:C(CC)CCCc1cc(O)c(C2CC(C(=O)OC)=CC3CC(C)(C)CC32)c(C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -15.22
InChIKey:AYUSLMAHQUHWNE-UHFFFAOYSA-N
ID: 43906
SMILES:CC1(C)C(O)C(=O)CC2(C)Oc3c(c(O)cc(CCC)c3)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.386
CB1 binding score: -17.334
InChIKey:RXXVNHRAXCMMRX-UHFFFAOYSA-N
ID: 43907
SMILES:c1c(=O)c(C2CCC(O)CC2)cc(O)c2c1OC1(C)C(C2)C(C)(C)Oc2c(c(O)cc(CCCCC)c2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 522.682
CB1 binding score: Not available
InChIKey:GZSXTFSBNQQLFQ-UHFFFAOYSA-N
ID: 43908
SMILES:C1CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 43909
SMILES:CC(CC(=O)c1c(O)c2c(cc1CCCCC)OC(C)(C)C1C2CC(C)(O)C1=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.558
CB1 binding score: -13.225
InChIKey:AATIRCIPANYCTA-UHFFFAOYSA-N
ID: 43910
SMILES:C(Cc1cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1)CC=C(C)CCC=C(CCC=C(C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 476.745
CB1 binding score: -13.221
InChIKey:JTPIRBMENUCJMM-UHFFFAOYSA-N
ID: 43911
SMILES:C1(CC(c2cc(CCCCC)cc(O)c2)=O)C(CC=C(C)C)C(C)(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -16.078
InChIKey:GWWLLSZVRHVQEV-UHFFFAOYSA-N