ID: 65689
SMILES:C1C(C(C)(O)C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -15.288
InChIKey:GKQCMIIXHDWLBR-UHFFFAOYSA-N
ID: 65690
SMILES:C(C1CCC(C(C)C)C1c1c(O)cc(CCCC)cc1O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -15.804
InChIKey:FVXJCXNRBIJFGS-UHFFFAOYSA-N
ID: 65691
SMILES:C(C)CCc1c(C(=O)O)c(O)c(CC=C(C)CCC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -18.957
InChIKey:BBTJGOMWXQQCKF-UHFFFAOYSA-N
ID: 65692
SMILES:c1c(O)c2c(cc1CCCCC)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: 65693
SMILES:CC(=CCCC1(C)Oc2c(c(O)cc(CCCCC)c2)CC1O)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -19.601
InChIKey:JXEWSPILIYHMCP-UHFFFAOYSA-N
ID: 65694
SMILES:CC1=CC2C(CC1C)C(C)(C)Oc1cc(CCCCC[N+](C)(C)C)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.6
CB1 binding score: -16.468
InChIKey:KQSOEYSXSVIWSB-UHFFFAOYSA-O
ID: 65695
SMILES:C(C)(=O)Oc1c(O)c(C(=C)C(C(CC)C)C)cc2c1CC1C(CCC1(O)C)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.585
CB1 binding score: -15.96
InChIKey:DXGKWKDZAJRBQA-UHFFFAOYSA-N
ID: 65696
SMILES:Oc1cc(CCCC)c2ccc3c(c2c1)OC(C)(C)C1C3C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.502
CB1 binding score: -15.67
InChIKey:KJOULRNIENJILK-UHFFFAOYSA-N
ID: 65697
SMILES:c1(O)c2c(cc(CCCCC)c1)OC1C(C(C)(C)O)CC3CC(C)=C1CCC23C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -15.517
InChIKey:VDEDBADJGNMJMW-UHFFFAOYSA-N
ID: 65698
SMILES:C1(C)(C)C2C1C1C(C(O)(C)CC2)Oc2c1ccc(CCCCC)c2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -13.294
InChIKey:QSMYKJLTNXAGCW-UHFFFAOYSA-N
ID: 65699
SMILES:Oc1cc(CCc2ccc(O)cc2)cc2c1C1CC(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.501
CB1 binding score: -18.615
InChIKey:HMAKUWMOXJJDNS-UHFFFAOYSA-N
ID: 65700
SMILES:c1c(CCCCC)c(C(=O)O)c(O)c2c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -19.351
InChIKey:UCONUSSAWGCZMV-UHFFFAOYSA-N
ID: 65701
SMILES:c1c(CCCCC)cc2c(c1O)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 65702
SMILES:C(CCC)c1cc(O)c2c(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
ID: 65703
SMILES:C1(Cl)C2(C)CCC2C2=C(c3c(cc(CCCCC)cc3O)OC2(C)C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.952
CB1 binding score: -13.359
InChIKey:CNNHROFAJOMXQN-UHFFFAOYSA-N
ID: 65704
SMILES:C(CC(C)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)C=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 428.613
CB1 binding score: -18.353
InChIKey:QNRJPRFPLQBROG-UHFFFAOYSA-N
ID: 65705
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(CCCCC)c(C(O)=O)c(O)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -19.351
InChIKey:UCONUSSAWGCZMV-UHFFFAOYSA-N
ID: 65706
SMILES:O(c1c2c(c(C)cc1O)C=CC13C(=O)OC(C)(C)C1CC(OC(C=C(C)C)=O)C3(C)O2)C(C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.518
CB1 binding score: -15.923
InChIKey:QWLSSABVTHATLO-UHFFFAOYSA-N
ID: 65707
SMILES:C1C(C)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 65708
SMILES:C1(C)=CC(c2c(O)cc(O)cc2CCCCC)C(C(=CCC=C(C)C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -16.353
InChIKey:PCJQZTVOPVXYKV-UHFFFAOYSA-N
ID: 65709
SMILES:C1(=O)C2C=C(C)CC1c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -10.175
InChIKey:KPFUHZMBYFAWIW-UHFFFAOYSA-N