ID: 12223
SMILES:C1(C(C)C)C(O)C2c3c(O)cc(CCCCC)cc3OC(C)(C2O)CC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: Not available
InChIKey:FPLHHFMCTULTBQ-UHFFFAOYSA-N
ID: 12224
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)-c2c1ccc(C)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 12225
SMILES:c1(CCCCCC)cc2c(c(O)c1C(O)=O)CC1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -15.518
InChIKey:ZOOAWFRRANWSNB-UHFFFAOYSA-N
ID: 12226
SMILES:C(CC1(C)Oc2c(C(C)C(=O)C(CC)C(C)OC(C)=O)cc(O)c(C)c2CC1)c1ccccc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.618
CB1 binding score: -17.214
InChIKey:IVXMEMOBWBEBSQ-UHFFFAOYSA-N
ID: 12227
SMILES:C(c1cc(O)c2c(c1)OC(O)C1C(=O)OC(C)(C)C1C2)CCCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.412
CB1 binding score: -16.527
InChIKey:YFBYVWSZHMFVKP-UHFFFAOYSA-N
ID: 12228
SMILES:C(C)(C)C1(O)C2C(C)(C3(Oc4c(c(O)cc(CCCCC)c4)C3)C(C)CC2)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -15.289
InChIKey:ZTIPOMOFJMLUGJ-UHFFFAOYSA-N
ID: 12229
SMILES:Cc1cc2c(cc1O)C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -19.623
InChIKey:MUNXTPXTGBOZLU-UHFFFAOYSA-N
ID: 12230
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C(C(O)(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -18.046
InChIKey:MXECOWWPQRFPTG-UHFFFAOYSA-N
ID: 12231
SMILES:C(C=C(C)CCC=C(CCC=C(C)C)C)c1c(O)cc(CCCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 398.631
CB1 binding score: -18.393
InChIKey:PHVGPKALUWIASL-UHFFFAOYSA-N
ID: 12232
SMILES:c1(O)c2c(cc(OC(CCCCCCCCCCCCCCC)=O)c1-c1c(NC(C(=CC)C)=O)oc(C)c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 675.951
CB1 binding score: -16.779
InChIKey:JQFWZURCSMZVFU-UHFFFAOYSA-N
ID: 12233
SMILES:Oc1cc(Cc2ccc(O)cc2O)cc2c1C1C(C(C)(C)O2)CCC(CO)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.456
CB1 binding score: -13.626
InChIKey:NGIATQORRZGGCT-UHFFFAOYSA-N
ID: 12234
SMILES:C(C)CCc1c(C(O)=O)cc2c(c1O)C=CC(CCC=C(C)C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -12.227
InChIKey:ZSCBVQJKAIUHDU-UHFFFAOYSA-N
ID: 12235
SMILES:CC(CCC=C(C)CCC=C(C)C)=CCc1c(OC)cc(CCc2ccc(O)cc2)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.647
CB1 binding score: -17.892
InChIKey:YMOPWTOOBMUWAW-UHFFFAOYSA-N
ID: 12236
SMILES:C(=CC=C(C)C(Cc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2)OC(C)(C)C=C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.653
CB1 binding score: -14.407
InChIKey:NBWALKATNKMTEM-UHFFFAOYSA-N
ID: 12237
SMILES:Oc1cc(O)c(C(=O)C(CC)C)c2c1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.453
InChIKey:NIZQVFOBIVYVBJ-UHFFFAOYSA-N
ID: 12238
SMILES:OC1C(C)=CC(c2ccc(CCCCC)cc2)C(C(C)=C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -17.085
InChIKey:VUDSKIPMWGVGSR-UHFFFAOYSA-N
ID: 12239
SMILES:C12(O)C(C(=O)CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -18.061
InChIKey:BTLIPVJVOZWRNX-UHFFFAOYSA-N
ID: 12240
SMILES:C1(C)(O)CCC(C(C)=C)C1c1c(O)cc(CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -15.434
InChIKey:FEVGKCBDEAPQNI-UHFFFAOYSA-N
ID: 12241
SMILES:C1(CC(C)C)c2c(O)cc(CCCCC)cc2OC(C)(C)C1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -16.136
InChIKey:ZQBKFQCEEXATSY-UHFFFAOYSA-N
ID: 12242
SMILES:Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(=C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.055
InChIKey:AOYYFUGUUIRBML-UHFFFAOYSA-N
ID: 12243
SMILES:CC(CC(c1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)(O)C1)C=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 386.576
CB1 binding score: -15.131
InChIKey:LMUZEWNDGYDQSM-UHFFFAOYSA-N