ID: 70078
SMILES:Oc1c2c(cc(CCCCC)c1O)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.996
InChIKey:XXGMIHXASFDFSM-UHFFFAOYSA-N
ID: 70079
SMILES:CC1=C(Cc2c(O)c(C(O)=O)c(CCCCC)cc2O)C2C(C(C)C)CC(=O)C(C)=C2CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.59
CB1 binding score: -15.279
InChIKey:JKSNDDPHWDIVFN-UHFFFAOYSA-N
ID: 70080
SMILES:C12CC=C(C)C(Cc3cc(C(O)=O)c(CCCCC)cc3O)C1(C)CCC(=O)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.596
CB1 binding score: -13.529
InChIKey:MUHYMLOGJSMBNU-UHFFFAOYSA-N
ID: 70081
SMILES:C1=C(C)C2C(C(C)=CC(=O)C(C(CCc3cc(O)c(CC=C(C)C)c(O)c3)=O)C2)C(C=C(C)C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 476.657
CB1 binding score: -14.392
InChIKey:NOCRNSBBERLCBB-UHFFFAOYSA-N
ID: 70082
SMILES:C(c1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C1C=CC(=C)C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 338.447
CB1 binding score: -14.377
InChIKey:FTGYYQKFCVAVHU-UHFFFAOYSA-N
ID: 70083
SMILES:C1(C(C)=C)CCC2(C)C3C(C)(Oc4c3c(O)c(CCCC)c(O)c4C(=O)C(OCC)=C2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.58
CB1 binding score: -17.312
InChIKey:WPGWEXSPBPNPDX-UHFFFAOYSA-N
ID: 70084
SMILES:C(CC=C(C)C)C(C)=CCc1c(O)cc(CCCCC)c(C(O)=O)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -19.234
InChIKey:SEEZIOZEUUMJME-UHFFFAOYSA-N
ID: 70085
SMILES:C=C(C1CCC(C)=CC1c1c(O)cc(CCc2ccccc2)cc1O)C
Pathway: Shikimates and Phenylpropanoids;Terpenoids
Superclass: Meroterpenoids;Stilbenoids
Class: Cannabinoids;Monomeric stilbenes
MW: 348.486
CB1 binding score: -16.94
InChIKey:BMVDHVMTQZIHDG-UHFFFAOYSA-N
ID: 70086
SMILES:C(CCC1(C)Oc2c(c(OC)cc(CCCCC)c2)C2=C1C(C)CC(=O)O2)=C(C(O)=O)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 510.671
CB1 binding score: -14.913
InChIKey:DRYCEDFJWPKZNB-UHFFFAOYSA-N
ID: 70087
SMILES:CCC=CCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.42
CB1 binding score: -13.668
InChIKey:PLFFEKWKQZKACK-UHFFFAOYSA-N
ID: 70088
SMILES:C1(C)(C)Oc2cc(CCCCC)cc(OC)c2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -18.023
InChIKey:HRFIYIMOSPHATP-UHFFFAOYSA-N
ID: 70089
SMILES:C1C(C)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 70090
SMILES:C12(C)Oc3c(c(O)cc(CCCCC)c3)C(OC(=O)C)C1C(COC(=O)C)=CC(OC(C)=O)C2C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 516.631
CB1 binding score: -16.097
InChIKey:NKDMRHYJKWHBCF-UHFFFAOYSA-N
ID: 70091
SMILES:c12c(O)cc(CCCCCCCC)cc1OC1C3C(C=CC3C)C(C(=O)O)(C)C2=C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.554
CB1 binding score: -14.239
InChIKey:KBBPUTBTRDTTSO-UHFFFAOYSA-N
ID: 70092
SMILES:C1(C)=CC(c2c(OC)ccc(CC[N+](C)(O)C)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: 70093
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(CCc4ccccc4)cc(O)c3C2C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.513
CB1 binding score: -17.354
InChIKey:JSKWAUPQCPBLLN-UHFFFAOYSA-N
ID: 70094
SMILES:C1(C)=CC2C(CC1O)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.534
InChIKey:INKUWBOHCFHXTJ-UHFFFAOYSA-N
ID: 70095
SMILES:c1(CCCCCC)cc2c(c(O)c1)C1C(=O)C(C)(C)OC(O)C1(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -13.941
InChIKey:VLOQXIZXIUNNGH-UHFFFAOYSA-N
ID: 70096
SMILES:C1c2c(cc(OC)c(CC=C)c2)C(C)(C)Oc2cc(CCCCC)cc(OC3C(O)C(O)C(O)C(CO)O3)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 542.669
CB1 binding score: Not available
InChIKey:WFVOTMTWWOFJJX-UHFFFAOYSA-N
ID: 70097
SMILES:O1C(=O)C2(C)C3C(C(O)C2C)c2c(cc(CCCCC)cc2O)OC13
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.423
CB1 binding score: -13.57
InChIKey:BVFQBYUSJDWHJZ-UHFFFAOYSA-N
ID: 70098
SMILES:C1C(CCC=C(C=O)C)(C)C2CCC(C)=CC2c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: -15.842
InChIKey:OEENACKMRPVXIJ-UHFFFAOYSA-N