ID: 49225
SMILES:OCC(=CCc1c(O)cc(CCCCC)cc1O)CCC=C(COC(=O)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.52
CB1 binding score: -13.034
InChIKey:WSBXGRCZIGJOAY-UHFFFAOYSA-N
ID: 49226
SMILES:c1(O)c2c(cc(C)c1)OC(C)(C)C1C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -18.804
InChIKey:NJEVKSYKELTXNY-UHFFFAOYSA-N
ID: 49227
SMILES:C1(=O)C(C)C2=C(c3c(O)cc(CCCCC)cc3O2)C2C(C)(O)CCC(C(=C)C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.554
CB1 binding score: -15.155
InChIKey:NTSHYDMATXCNLX-UHFFFAOYSA-N
ID: 49228
SMILES:C(CCc1cc(O)c2c(c1C)OC(C)(C)C(O)C2)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 278.392
CB1 binding score: -11.601
InChIKey:QZHMFRFQYVNXDQ-UHFFFAOYSA-N
ID: 49229
SMILES:CCCCCc1ccc(O)c(C2C=C(C)CCC2C(C)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 300.486
CB1 binding score: -18.255
InChIKey:FVMNSBXLYRKHTD-UHFFFAOYSA-N
ID: 49230
SMILES:CC(N)(C)C(=O)OCC1=CC2C(c3c(cc(CCCCC)cc3O)O2)C(C)(C)C2CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 427.585
CB1 binding score: -17.449
InChIKey:BMBPUASLJBHWOV-UHFFFAOYSA-N
ID: 49231
SMILES:c1(O)c(C(=O)O)c2c(c(C(CC=CC=CC)C)c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.527
CB1 binding score: -13.951
InChIKey:WWJXKTLMYDAVEX-UHFFFAOYSA-N
ID: 49232
SMILES:C(=C1CCC(C)=CC1c1c(O)cc(CCCC)cc1O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.337
InChIKey:WMWNVJQJAMDMJC-UHFFFAOYSA-N
ID: 49233
SMILES:C1C=C(C)Cc2c(O)cc(CCCCC)cc21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 230.351
CB1 binding score: -18.124
InChIKey:GZCXBNWGUSHQRE-UHFFFAOYSA-N
ID: 49234
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 49235
SMILES:CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1CC=C(C(=O)O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.707
InChIKey:OGXXAQFMAFTSRU-UHFFFAOYSA-N
ID: 49236
SMILES:C1(O)(C)CCC23C1c1c(cc(CCCCC)cc1OC2=O)OC3(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.334
InChIKey:BSBDKALDMZFHQI-UHFFFAOYSA-N
ID: 49237
SMILES:C1C2C(O)(C1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -15.706
InChIKey:XZBVXIKIAMDTFJ-UHFFFAOYSA-N
ID: 49238
SMILES:CC1(C)C2C(C=C(C)CC2)c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 49239
SMILES:c1c(CCc2ccccc2)c2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.486
CB1 binding score: -14.067
InChIKey:FUMCWDDKWWTJKZ-UHFFFAOYSA-N
ID: 49240
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)C(O)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.186
InChIKey:KQQMZTULVOWZJR-UHFFFAOYSA-N
ID: 49241
SMILES:CCCCC1=CC2(OC(=O)CC=C(C)C)C(=O)C(CCCC)=CC(=O)C2(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -14.69
InChIKey:NOAUEUMGOHIBFE-UHFFFAOYSA-N
ID: 49242
SMILES:CC1(C)CCC=C(C)C1CCC1(C)Oc2c(c(OC)cc(CCCCC)c2)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: Not available
InChIKey:YLKCVQUQAOLMEG-UHFFFAOYSA-N
ID: 49243
SMILES:C1=C(C)CC2C34Oc5c(c(O)cc(COC(C(C)=CC)=O)c5)C3OC4(C)CCC2=C(C)C1=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.531
CB1 binding score: -15.379
InChIKey:CDXJXCSESMQDCO-UHFFFAOYSA-N
ID: 49244
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 49245
SMILES:C1=C(C)CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N