ID: 37213
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.506
InChIKey:LCWPGHYENVNAJV-UHFFFAOYSA-N
ID: 37214
SMILES:C1=C(C)COc2c1c(O)cc(CCCCC)c2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 232.323
CB1 binding score: -17.881
InChIKey:HZTBOQLZTCDDEK-UHFFFAOYSA-N
ID: 37215
SMILES:Oc1c2c(cc(C)c1)OC(C(C)(C)OCCCC)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.365
CB1 binding score: -16.43
InChIKey:USWPWUYZCLJESL-UHFFFAOYSA-N
ID: 37216
SMILES:C(CCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 37217
SMILES:C1CC2C(=CC(=O)OC2(C)C)c2c1c(CCCC)ccc2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -13.323
InChIKey:YCUAPAWYXKGBMT-UHFFFAOYSA-N
ID: 37218
SMILES:C1(C)(C)Oc2cc(CCC)cc(O)c2C2C1C(=O)CC(C(=O)OC)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.407
CB1 binding score: -16.944
InChIKey:OOFVZLSVNXPZKQ-UHFFFAOYSA-N
ID: 37219
SMILES:C1CC(C(C)=C)C(c2cc(CCN(C)C)ccc2OC)C=C1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 313.485
CB1 binding score: -18.294
InChIKey:GJDVDGGMUGCJGX-UHFFFAOYSA-N
ID: 37220
SMILES:O=Cc1c(CCC)cc2cc1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -16.052
InChIKey:LQGWMFPJGTUXIM-UHFFFAOYSA-N
ID: 37221
SMILES:C(CCCC)Cc1cc2c(c(O)c1)C1CC(C)(C)CC1C1=C(O2)C(C)(C)C(=O)C(C)(C)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.635
CB1 binding score: -16.438
InChIKey:QJCJJJQAUBQMSI-UHFFFAOYSA-N
ID: 37222
SMILES:Oc1cc(CCCCC)cc2c1C1=C(C(C)(C)CCC1)CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 338.535
CB1 binding score: -12.314
InChIKey:OZACDSZJFRGMQT-UHFFFAOYSA-N
ID: 37223
SMILES:c1c(C)ccc2c1-c1c(O)cc(CCCCC)cc1OC2(CC)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.464
CB1 binding score: -15.878
InChIKey:FWOPNJYSHCPKJV-UHFFFAOYSA-N
ID: 37224
SMILES:C(Oc1c(CCCCC)c(C(=O)O)c(O)c2c1C1CC(C)(O2)CCC1C(C)=C)(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.514
CB1 binding score: -14.935
InChIKey:ZDEBUYVLTDWLIS-UHFFFAOYSA-N
ID: 37225
SMILES:c1(CCCCC)cc2c(c(O)c1C)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -16.766
InChIKey:GHOACUBFKDYJHZ-UHFFFAOYSA-N
ID: 37226
SMILES:c1c(C)c(C2C(C(C)C)CCC2(C)C)c(O)cc1CCCCC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.529
CB1 binding score: -15.746
InChIKey:OBGBELWHGHRROP-UHFFFAOYSA-N
ID: 37227
SMILES:C12C(C(C)(C)Oc3c1c(O)cc(CCCCC)c3)CC1=C(C(=O)CCC1(C)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -15.372
InChIKey:BXZUQIWBEYASQJ-UHFFFAOYSA-N
ID: 37228
SMILES:C1CC2(C)C(C3=C1c1c(cc(CCCCC)cc1O)OC3(C)C)CC(CO)=CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -14.895
InChIKey:BENOAPMROIVPHW-UHFFFAOYSA-N
ID: 37229
SMILES:CC(C)=CC(=O)CC(=CCc1c(OC)c(O)c(CCCCC)cc1OC(=O)C1CCCCC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.65
CB1 binding score: -15.434
InChIKey:CLKGVYRXFOIVRI-UHFFFAOYSA-N
ID: 37230
SMILES:C(=CC=C(C)C)C(c1c(O)cc(CCCCC)cc1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids;Catechols with side chains
MW: 272.432
CB1 binding score: -16.389
InChIKey:GOUQIDCYKSUKKJ-UHFFFAOYSA-N
ID: 37231
SMILES:c1(CCCCC)c(C(=O)O)c(O)c2c(c1)OC(C)(C)C1CCC(C)(O)C=C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -16.931
InChIKey:NEADFEGWCAIDQE-UHFFFAOYSA-N
ID: 37232
SMILES:c1c(C(=O)CC2C(C)(CO)C(O)C(OC(C)=O)CC2=C)c(CCCCC)cc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.53
CB1 binding score: -11.754
InChIKey:WTOQHKWJMXQOPS-UHFFFAOYSA-N
ID: 37233
SMILES:Oc1c(CCCCC)c2c(c(O)c1C(=O)O)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -15.834
InChIKey:DFLIPGOVHWFEIL-UHFFFAOYSA-N