ID: 3067
SMILES:c1(O)c(CC=C(CCC=C(C)C)C)ccc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 300.486
CB1 binding score: -19.003
InChIKey:KXYIDYXHLDYCQN-UHFFFAOYSA-N
ID: 3068
SMILES:Cc1cc2c(c(OC)c1)C1=C(C(C)(C)O2)CCC(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -17.471
InChIKey:GZQJHIWXZCYIDJ-UHFFFAOYSA-N
ID: 3069
SMILES:c12c(cc(CCCCC)cc1)OC(C)(C)C1C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -16.515
InChIKey:BYIOERCQWYRJAJ-UHFFFAOYSA-N
ID: 3070
SMILES:C1C(O)C(O)C(Oc2c(O)cc3c(c2CCCC)OC(C)(C)C2CC=C(C)CC32)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.53
CB1 binding score: -15.552
InChIKey:QHCGXWJWBGUZFH-UHFFFAOYSA-N
ID: 3071
SMILES:c1(O)c(C(C(=O)C)C)cc2c(c1)C1C(C(C)(C)O2)CC(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 332.44
CB1 binding score: -15.358
InChIKey:CWPYTVPEWBYVEX-UHFFFAOYSA-N
ID: 3072
SMILES:C(C(Cl)(Cl)Cl)(=Cc1cc(C2C(C(C)=C)CCC(C)=C2)c(O)cc1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 385.762
CB1 binding score: -15.552
InChIKey:XTWUFYKBFSTIML-UHFFFAOYSA-N
ID: 3073
SMILES:c1(O)cc(CCc2ccc(O)c(OC)c2)cc2c1C1=C(C(C)(C)O2)CCC(C)C1
Pathway: Polyketides;Shikimates and Phenylpropanoids;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.511
CB1 binding score: -11.056
InChIKey:HUZUTPCCGSZZHA-UHFFFAOYSA-N
ID: 3074
SMILES:Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.619
InChIKey:MMZAEMNNHWYQKW-UHFFFAOYSA-N
ID: 3075
SMILES:C1(C)(CCC=C(C)C)Oc2c(c(O)cc(CCCCC)c2)C(=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.376
InChIKey:AAZSXXIEAYXFSH-UHFFFAOYSA-N
ID: 3076
SMILES:C1C(C)=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 3077
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: 3078
SMILES:C12(O)C(CC(O)C1(C)C)c1c(O)cc(C)cc1OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -15.435
InChIKey:MOHMTNVGJRIWBG-UHFFFAOYSA-N
ID: 3079
SMILES:C12C(=Cc3c(O)c(C(O)=O)c(CCCCC)cc3O1)C1C(C(C)(O)CC2)OC(C)(C)C1CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 498.66
CB1 binding score: -15.334
InChIKey:OAGYWFTYDWOWKI-UHFFFAOYSA-N
ID: 3080
SMILES:O=C1C2(C)Oc3c(c(O)cc(CCCCC)c3)C3(C2)C(C)CCC13C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -14.746
InChIKey:BUCLAEJTXCREJL-UHFFFAOYSA-N
ID: 3081
SMILES:c1(O)c2c(cc(C(=O)C(C)C)c1O)OC(C)(C)C1C2CC(C)=CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.423
CB1 binding score: -15.929
InChIKey:QBHYAXREJMXSPU-UHFFFAOYSA-N
ID: 3082
SMILES:c12c(c(CC=C(C)CCC=C(C)C)cc(C)c1O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.599
CB1 binding score: -16.663
InChIKey:LSNYTXDBYHCGKQ-UHFFFAOYSA-N
ID: 3083
SMILES:C12(C)Oc3c(c(O)cc(CCCCC)c3)C(C1)C(C)(O)CCC(C(C)=C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -16.216
InChIKey:QQPGZMXYMXNICF-UHFFFAOYSA-N
ID: 3084
SMILES:O=C(O)c1c(CCCCC)cc2c(c1O)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -19.351
InChIKey:UCONUSSAWGCZMV-UHFFFAOYSA-N
ID: 3085
SMILES:c1(O)c(C(CC)C(C)OC(C)=O)cc(O)c2c1OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -15.198
InChIKey:AONSSBKINASVNM-UHFFFAOYSA-N
ID: 3086
SMILES:CC1(C)C2C(c3c(cc(CCCCC)cc3O)O1)C=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 3087
SMILES:C1C2C(C)(C)Oc3cc(CCCC)c(C(OC(C)C)=O)c(O)c3C2C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -14.759
InChIKey:UEGYWGNZULHNJT-UHFFFAOYSA-N