ID: 70729
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.487
CB1 binding score: -19.108
InChIKey:KCGRQTUOQYSEJY-UHFFFAOYSA-N
ID: 70730
SMILES:Oc1c(C(C(CC)OC(CC)=O)C)cc(O)c2c1OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -14.916
InChIKey:FNAVLUKHPBDSSW-UHFFFAOYSA-N
ID: 70731
SMILES:c1c(O)c2c(cc1)OC(C)(C)C1C2CC(O)(C)C2CCC(C)(O2)C(O)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.466
CB1 binding score: -13.385
InChIKey:LJSBSSVYDITMMW-UHFFFAOYSA-N
ID: 70732
SMILES:CC1=CCOc2cc(CCCCC)ccc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 216.324
CB1 binding score: -15.972
InChIKey:JNODYGKURBZDJF-UHFFFAOYSA-N
ID: 70733
SMILES:C(=O)(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -16.219
InChIKey:HAKKJJYARNCYGR-UHFFFAOYSA-N
ID: 70734
SMILES:c1(CCCC)cc(O)c2c(c1)OC(C)(C)C1C2CC(C)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -16.161
InChIKey:ACOOJIGWNLQARK-UHFFFAOYSA-N
ID: 70735
SMILES:C1OC2c3c(cc(CCCCC)cc3O)OC13C(=C2)C(C)CC(O)C3C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -15.192
InChIKey:PAAOODDLVWBYCC-UHFFFAOYSA-N
ID: 70736
SMILES:C1CC(C)=CC2C1C(C)(C)Oc1cc(CCCCC)c(Cl)c(C=O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.925
CB1 binding score: -15.183
InChIKey:ZICFGEGTVHNQDO-UHFFFAOYSA-N
ID: 70737
SMILES:C12(C)C(C(CO)=O)(CCC(C)=C1)c1c(O)cc(C(C)C(C(C)CCCCCC)O)cc1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.612
CB1 binding score: -14.407
InChIKey:OCNDCQDEUADSDI-UHFFFAOYSA-N
ID: 70738
SMILES:C1=C(C)CCC(C(C)=C)C1c1ccc(O)cc1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.362
CB1 binding score: -19.175
InChIKey:GJXWWWKLUZSVGM-UHFFFAOYSA-N
ID: 70739
SMILES:C1CC2(C)Oc3c(c(O)cc(CCC)c3)C(O)C2C(C)(C)C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -13.242
InChIKey:DMBPEWHXMFCJQV-UHFFFAOYSA-N
ID: 70740
SMILES:C(c1c(O)c(CC=C(C)C)c(O)c2c1OC(C)(C)C1C2C=C(C(O)=O)CC1)C=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.553
CB1 binding score: -12.744
InChIKey:TVVCSAWZWOIHQX-UHFFFAOYSA-N
ID: 70741
SMILES:OC1(C)C2C(C)(C)C=C(C(=O)O)C(=O)C2(c2c(O)cc(CCCC)cc2O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.487
CB1 binding score: -15.657
InChIKey:GJIFMEPDCIWDME-UHFFFAOYSA-N
ID: 70742
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C(C(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.487
CB1 binding score: -19.108
InChIKey:KCGRQTUOQYSEJY-UHFFFAOYSA-N
ID: 70743
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(CCC=C(C)C)(C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.002
InChIKey:ITDDKOGKAGSKEJ-UHFFFAOYSA-N
ID: 70744
SMILES:c1(CC=C)cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -18.166
InChIKey:FGEQAFJXCIBXCD-UHFFFAOYSA-N
ID: 70745
SMILES:C(CC)CCc1cc(O)c(CC=C(C)CCC=C(C)CCC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 384.604
CB1 binding score: -20.123
InChIKey:WYEFRBILENQYOH-UHFFFAOYSA-N
ID: 70746
SMILES:C1(O)CCC2(C)C(C1(C=O)c1c(O)cc(CCCCC)cc1O)CC(C(=C)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -13.674
InChIKey:HWGYAUCTIQNPDD-UHFFFAOYSA-N
ID: 70747
SMILES:C12CC=C(C)CC1c1c(O)cc(CCCC)cc1O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.432
InChIKey:IGFPDZOXIOPCCQ-UHFFFAOYSA-N
ID: 70748
SMILES:c1(CCCCC)cc2c(c(OC)c1)C1C3C(C)(O2)CCC1C(C)(C)O3
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.111
InChIKey:WPIHEZQGVBWSIY-UHFFFAOYSA-N
ID: 70749
SMILES:C12c3c(OC)cc(O)c(C(=O)C(C)C)c3OC(C)(C)C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.271
InChIKey:JUFOKLNJXKGPBF-UHFFFAOYSA-N