ID: 21316
SMILES:C1(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 21317
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(C(O)(C)C)CCC(C)=C1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.905
InChIKey:YROIRQIYQPHIQU-UHFFFAOYSA-N
ID: 21318
SMILES:O1C(C)(C)C2CCC(C)=CC2c2c(O)cc(CCCCC)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 21319
SMILES:c1(O)c(C(CCC=C(C)C)C)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 290.447
CB1 binding score: -17.404
InChIKey:LIFOCERVKVJSNG-UHFFFAOYSA-N
ID: 21320
SMILES:c1(CCCCC)cc(O)c(C2C(C(=C)C)CC=C(CO)C2O)c(O)c1C=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -15.005
InChIKey:JKMFBHAMLYQRHB-UHFFFAOYSA-N
ID: 21321
SMILES:c1(O)c(C(=O)C(CC)C)c2c3c(c1O)OC(C)(C)C1OC(C)(C)C(CC1)C3C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -14.565
InChIKey:DXXMODNVXLYTMW-UHFFFAOYSA-N
ID: 21322
SMILES:c1(CCCC)cc(O)c(CC=C(C)C)c(OC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -18.515
InChIKey:BATMCKVCWPMDGH-UHFFFAOYSA-N
ID: 21323
SMILES:CC1=CC2C(C(C)(C)Oc3cc(C)c(O)cc32)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -19.623
InChIKey:MUNXTPXTGBOZLU-UHFFFAOYSA-N
ID: 21324
SMILES:Oc1c(C2C(C(C)=C)CCC(C)=C2)c(O)c(CC=C(C)C)c(OC)c1CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: -15.343
InChIKey:XSOYYLPKNYEZNU-UHFFFAOYSA-N
ID: 21325
SMILES:C123OC1C(O)(C)CCC2C(C)(C)Oc1c(C(CCCCCCC)C(O)C(=O)O)c(C)ccc13
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 460.611
CB1 binding score: -13.993
InChIKey:IXFOMLBRSOUZOV-UHFFFAOYSA-N
ID: 21326
SMILES:C(CO)C1=CC2C(CC1)C(C)(C)Oc1cc(C)c(O)cc12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -13.32
InChIKey:UAFLNJCUQUBRRF-UHFFFAOYSA-N
ID: 21327
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(CO)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.832
InChIKey:LOUSQMWLMDHRIK-UHFFFAOYSA-N
ID: 21328
SMILES:O1c2cc(CCCCC)cc(O)c2C2C(CC=C(C)C2)C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 21329
SMILES:Oc1cc(C)cc(OC)c1C1C(C)C(C)(CC=CC(C)(CCC=C(C)C)O)Oc2ccccc2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.673
CB1 binding score: -15.367
InChIKey:NWRVHXAQXHZVCX-UHFFFAOYSA-N
ID: 21330
SMILES:C12(c3c(cc(CCCCC)cc3O)OC(C)(C)C1CC=C(C)C)C(CO)C(O)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.601
CB1 binding score: -14.295
InChIKey:WHHCJBQRJWTWAC-UHFFFAOYSA-N
ID: 21331
SMILES:C(CCCc1cc2c(c(O)c1)CC1C2(C)CCC(C(O)(C)C)O1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.538
CB1 binding score: -15.63
InChIKey:FSUKVMDWGZWZRD-UHFFFAOYSA-N
ID: 21332
SMILES:C(CCCC)c1cc2c(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: 21333
SMILES:CC1(C)CC2c3c(O)cc(CCCCC)c(O)c3C(=O)C(CC=C(C)C)(C1)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -15.507
InChIKey:ALKXQIIRSZEHAZ-UHFFFAOYSA-N
ID: 21334
SMILES:c1(OC)c2c(cc(C)c1)OC(CCC=C(C)C)(C)C=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -18.372
InChIKey:VRVBUCRQGHWYCT-UHFFFAOYSA-N
ID: 21335
SMILES:Oc1cc(CC=C)cc2c1C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -18.957
InChIKey:MTBKFELEBUQONK-UHFFFAOYSA-N
ID: 21336
SMILES:C(CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -15.745
InChIKey:YWLTYHDTPYQDRJ-UHFFFAOYSA-N