ID: 78205
SMILES:O1C(C(C)C)C2(C)C(C)(C1)Oc1c(c(O)cc(CCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -16.33
InChIKey:UZELCKFOYLCEIZ-UHFFFAOYSA-N
ID: 78206
SMILES:CC(CC)C(Oc1cc(C)c(OC)cc1C1(C)OC2(C)C1C(C)C=C(C)C2O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -14.297
InChIKey:YCPCPZQSPWAPJA-UHFFFAOYSA-N
ID: 78207
SMILES:c1(O)cc2c(c3c1cc(CCC)cc3O)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.474
CB1 binding score: -13.988
InChIKey:STKHBRIZACRFIX-UHFFFAOYSA-N
ID: 78208
SMILES:Oc1cc(O)c2c(c1C(=O)CC(C)C)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.385
InChIKey:KCKFCLWTUCSIQS-UHFFFAOYSA-N
ID: 78209
SMILES:C(C=C(C)C)CC(=CCc1c(C)c(CCCCC)cc(O)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.513
CB1 binding score: -16.602
InChIKey:WUXHHXURFZZACX-UHFFFAOYSA-N
ID: 78210
SMILES:CC1(CCC=C(C)CCC=C(C)C)Oc2c(c(O)cc(CCCCC)c2)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -19.944
InChIKey:PXPDKUHGJIMKBA-UHFFFAOYSA-N
ID: 78211
SMILES:c1c(O)c(C)cc(O)c1C1C(C(CCC(O)C(C)(C)O)C)=CCC2(C)C1CC(C(C)=C)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.667
CB1 binding score: -14.941
InChIKey:JMWOEFOCHSWMMJ-UHFFFAOYSA-N
ID: 78212
SMILES:C(C)CCCCc1ccc(O)c(CC=C(C)CCC=C(C)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 314.513
CB1 binding score: -17.43
InChIKey:DOKRBMNNIIGHQA-UHFFFAOYSA-N
ID: 78213
SMILES:C1C2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C(C)(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -18.762
InChIKey:ICMJYQRNULRNTK-UHFFFAOYSA-N
ID: 78214
SMILES:CCCCCc1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 78215
SMILES:O=C1c2c(O)c(O)c(CCCCC)cc2OC(C)(C)C1CC(C(C)C)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.466
CB1 binding score: -13.581
InChIKey:PWAZNLBZJQQKKG-UHFFFAOYSA-N
ID: 78216
SMILES:C1(CCC=C(C)C)(C)Oc2c(C=O)c(CCCCC)cc(O)c2C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -17.591
InChIKey:SAFMODUFVSRGND-UHFFFAOYSA-N
ID: 78217
SMILES:C1(Br)CC2C(C)(C)Oc3c(c(O)c(C(=O)OCCCC)c(C)c3)C2C(O)C1(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 471.388
CB1 binding score: -14.041
InChIKey:VTXPTTGQXRCIOE-UHFFFAOYSA-N
ID: 78218
SMILES:C(C1=CC2C(C(C)(C)Oc3c2ccc(C=O)c3)CC1)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.344
CB1 binding score: -15.4
InChIKey:QNNDRLSXINTTSM-UHFFFAOYSA-N
ID: 78219
SMILES:C(=O)c1c(O)c2c(cc1CCCCC)OC(C)(C)C1C2C=C(C)CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -14.625
InChIKey:PCNRNZHDMRIBRN-UHFFFAOYSA-N
ID: 78220
SMILES:CC1=CC(c2c(OC)ccc(CC[N+](C)(C)O)c2)C(C(=C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.492
CB1 binding score: -17.083
InChIKey:APHOZERXLQQVOV-UHFFFAOYSA-N
ID: 78221
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(=O)O)CC12)CC=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.608
CB1 binding score: -16.879
InChIKey:DTDYZWDCSOVCIF-UHFFFAOYSA-N
ID: 78222
SMILES:C(CCCC)c1cc(O)c(C2C=C(CO)C(=O)CC2C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.494
InChIKey:BEGWZEBFJNWWLD-UHFFFAOYSA-N
ID: 78223
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1=CCC(O)(C)C1C2)C1=CCOC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.472
CB1 binding score: -15.887
InChIKey:KGRRTOUNKNYPAT-UHFFFAOYSA-N
ID: 78224
SMILES:CC(C)=CCc1c(O)c(COC(CC)=O)c(CCCCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -15.374
InChIKey:XGAQZWAXXHAYMH-UHFFFAOYSA-N
ID: 78225
SMILES:C(CCCC)CCCCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -15.976
InChIKey:NLKMWJXQFQHMPR-UHFFFAOYSA-N