ID: 102334
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2C=C(C(=O)OCC)C(O)CC2(O)C1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.476
CB1 binding score: -15.288
InChIKey:CWNUSSJUNLVMQR-UHFFFAOYSA-N
ID: 102335
SMILES:Oc1c(C2C(C(C)=C)C(c3cc(CCCCC)cc(O)c3)CC(C)=C(O)C2=O)cc(CC=C)cc1
Pathway: Polyketides;Shikimates and Phenylpropanoids;Terpenoids
Superclass: Meroterpenoids;Lignans
Class: Cannabinoids;Neolignans
MW: 474.641
CB1 binding score: -15.435
InChIKey:CKHHTYTVBKVTSX-UHFFFAOYSA-N
ID: 102336
SMILES:C1(O)CC(C)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.072
InChIKey:DJCKLUPKZRLTPE-UHFFFAOYSA-N
ID: 102337
SMILES:C1C2C(C(C)(C)Oc3cc(CCCCC)cc(O)c3-2)CC=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 102338
SMILES:C1CC(C(C)C)C2c3c(cc(CCC)cc3O)OC3(C)C12OC3(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -14.324
InChIKey:VQFJAQKVJYSKHE-UHFFFAOYSA-N
ID: 102339
SMILES:c12c(O)cc(C)c(O)c1C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -18.541
InChIKey:DPCAYUPZPQHSBS-UHFFFAOYSA-N
ID: 102340
SMILES:CC1=CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 102341
SMILES:C(CC(C)=CCc1c(O)cc(CCCCC)cc1O)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 102342
SMILES:C(C(Oc1cc(OC)cc(CCCCC)c1)=O)C=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -17.195
InChIKey:UQBRHEDGXQEIOG-UHFFFAOYSA-N
ID: 102343
SMILES:OC1(C)CCCC(C)(C)CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.5
CB1 binding score: -15.985
InChIKey:YUHWVUGJOJWECQ-UHFFFAOYSA-N
ID: 102344
SMILES:C=C(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 102345
SMILES:CC1(C)C2C(OC(=O)C)CC(C)=CC2c2c(cc(CCCCC)cc2OC)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -17.182
InChIKey:GNJCKWWAYUFOHP-UHFFFAOYSA-N
ID: 102346
SMILES:CCOc1cc(CCCCC)cc2c1C1CC(C(=C)C)CCC1(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -16.391
InChIKey:JKEJUUOCEVVGMO-UHFFFAOYSA-N
ID: 102347
SMILES:C12C(C)(C)Oc3cc(C)cc(O)c3C1C1OC2C(C)(O)CCC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -14.166
InChIKey:LFHBGSDYQOQABU-UHFFFAOYSA-N
ID: 102348
SMILES:O1C2(c3cc(CC[N+](C)(O)C)cc(O)c3)CCC(C1(C)C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.426
CB1 binding score: -16.502
InChIKey:IABUWBFWOYIUIO-UHFFFAOYSA-O
ID: 102349
SMILES:C1(C(C)C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 102350
SMILES:c12c(O)cc(CCCCC)cc1OC1(C(O)=C(C(c3ccc(SC)cc3)CC(NCC(C)C)=O)C(=O)CC1C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 567.748
CB1 binding score: -15.62
InChIKey:IDBVXGBEBFGHOB-UHFFFAOYSA-N
ID: 102351
SMILES:C1(C)(C)C(CCC(O)C)(O)c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 322.445
CB1 binding score: -14.801
InChIKey:OVBKTSJWWVQPDM-UHFFFAOYSA-N
ID: 102352
SMILES:CC(C1=C2c3c(cc(CCCCCC)cc3O)OC(C)(C)C2CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -15.929
InChIKey:BAQBMINIPTVYLC-UHFFFAOYSA-N
ID: 102353
SMILES:C(CC(CCC=C(C)C)C)Oc1cc(CCCCC)cc(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.501
CB1 binding score: -17.302
InChIKey:JHDVPXZAVSHMCO-UHFFFAOYSA-N
ID: 102354
SMILES:c1(O)c2c(cc(CCCC)c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.175
InChIKey:RVWTXSLOGRTPEH-UHFFFAOYSA-N