ID: 2227
SMILES:C12(C(C)C)CCC(C)=CC1c1c(cc(CCCCC)c(C(O)=O)c1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.097
InChIKey:OFZQFXOXOTWQDQ-UHFFFAOYSA-N
ID: 2228
SMILES:C1(C)(C)C2CC3c4c(cc(CCCCC)cc4OC2C1)OC3
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -14.041
InChIKey:HZOIARPAATZRBB-UHFFFAOYSA-N
ID: 2229
SMILES:C1C(C)=CC(c2ccc(CCCCC)cc2)C(C(C)(O)C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -18.046
InChIKey:MXECOWWPQRFPTG-UHFFFAOYSA-N
ID: 2230
SMILES:C12C3(Cc4c(O)cc(CCCCC)cc4O3)C(C)(C(=O)CC1C(=C)C)CCC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -14.417
InChIKey:HYGWJYQUMMRKSM-UHFFFAOYSA-N
ID: 2231
SMILES:CC(CCC=C(C)C)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -19.234
InChIKey:SEEZIOZEUUMJME-UHFFFAOYSA-N
ID: 2232
SMILES:C1(Br)C(C)(C)Oc2cc(CCCCC)cc(O)c2C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 343.261
CB1 binding score: -17.061
InChIKey:CINLPKDSTQJRTO-UHFFFAOYSA-N
ID: 2233
SMILES:C(CCc1cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1)CC(OC)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.899
InChIKey:OOOZCYQNIUGEDH-UHFFFAOYSA-N
ID: 2234
SMILES:c1(C2CC=C(CCC=C(C=O)C)C(=O)O2)c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -16.015
InChIKey:GUMSATSDHXIIML-UHFFFAOYSA-N
ID: 2235
SMILES:C(CC)CCCc1c(C(=O)C)c(O)c(O)c2c1OC1(CCC(C(C)(C)O)CC1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.547
CB1 binding score: -16.616
InChIKey:VYXHBIHALVHBJN-UHFFFAOYSA-N
ID: 2236
SMILES:O(C)C(c1cc2c(cc1C)C(C)(CO)Oc1c-2cc(CCCCC)cc1O)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.472
CB1 binding score: -12.993
InChIKey:NRCCYPFPERMDMK-UHFFFAOYSA-N
ID: 2237
SMILES:CC(=CCCC1(C)Oc2c(c(O)cc(CCCCC)c2)C=C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 2238
SMILES:C(CCC)=Cc1cc2c(c(O)c1)C1C=C(C(=O)OC)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -15.83
InChIKey:GTTAMLPMBFSOLK-UHFFFAOYSA-N
ID: 2239
SMILES:c1(CCCCC)cc2c(c(OC)c1)CC1C(=C)C(CCC=C(C)CCC=C(C)C)C(=O)OC1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.69
CB1 binding score: -15.878
InChIKey:WIJJDLVNBPGRSB-UHFFFAOYSA-N
ID: 2240
SMILES:C1C=C(C)CCC2C(C)(C)Oc3c(c(O)c(C(CC(C)C)=O)c(C(=O)O)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -15.717
InChIKey:FBMRZJHBPXEKIB-UHFFFAOYSA-N
ID: 2241
SMILES:OC(=O)C(C(O)Cc1c2c(cc(CCC(O)CC)c1)OC(C)(C)C2CC1=C(C)CCCC1(C)C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 488.665
CB1 binding score: -17.197
InChIKey:AOXHHTDTHNIGFH-UHFFFAOYSA-N
ID: 2242
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)(C)=CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -17.549
InChIKey:CFTAGALTJJPYKU-UHFFFAOYSA-N
ID: 2243
SMILES:CC(CCC=C(CCC=C(C)C)C)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 428.613
CB1 binding score: -18.353
InChIKey:QNRJPRFPLQBROG-UHFFFAOYSA-N
ID: 2244
SMILES:C(=CCC1(C(C)=C)c2c(cc(CCCCC)cc2O)OC1=O)(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -14.767
InChIKey:PUYQKBCWSGSOHP-UHFFFAOYSA-N
ID: 2245
SMILES:Oc1cc(O)c2c(c1C(=O)C(C)CCCC(C)=O)OC(C)(C)C1C2C=C(C(=O)O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.497
CB1 binding score: -14.868
InChIKey:KTMLOOBFFZAFCR-UHFFFAOYSA-N
ID: 2246
SMILES:C1C2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 2247
SMILES:C(C(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1=O)C)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.513
InChIKey:CLBHDVJXLHFVGF-UHFFFAOYSA-N