ID: 70099
SMILES:c12cc(CCCCC)cc(OC(C)=O)c1OC(CCC1(C)C(=C)C(C)CCC1)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.625
CB1 binding score: -16.094
InChIKey:ATIVTFMRVZSECX-UHFFFAOYSA-N
ID: 70100
SMILES:C12c3c(O)cc(C)cc3OC3(C)C14C(=C(C)CC4)C(=O)C(=C(C)C)CC3O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.457
CB1 binding score: -11.404
InChIKey:SINWEKBAZTZXDZ-UHFFFAOYSA-N
ID: 70101
SMILES:C1C2C(C)(Oc3c(c(O)cc(CCCCCC)c3)C2O)C2C(C1)C(=O)C(C(C)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -15.307
InChIKey:YOXHFXOPWIJASB-UHFFFAOYSA-N
ID: 70102
SMILES:C1C(C)(O)C2(CC1)C(C)(C)Oc1c(c(O)cc(CCCCC)c1)C2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -14.786
InChIKey:KZILQSVNNGQVTQ-UHFFFAOYSA-N
ID: 70103
SMILES:C1C(C(C(O)=O)C)C(C=O)(C)CC2=C1c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.542
CB1 binding score: -15.13
InChIKey:FRAWQSCTUFGDFF-UHFFFAOYSA-N
ID: 70104
SMILES:O(C)c1c2c(c3c(cc2O)OC(C)(C)C2CCC(C)=CC23)ccc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.42
CB1 binding score: -16.647
InChIKey:GDMNDGPRJRMJCQ-UHFFFAOYSA-N
ID: 70105
SMILES:C(Cc1c(OC(C)=O)c(O)c(O)c2c1OC(C)(C)C1CCC(C)=CC21)CC(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -12.167
InChIKey:JRXPUMLPVXRKEN-UHFFFAOYSA-N
ID: 70106
SMILES:C1(c2c(O)cc(C(C=C)(C)CCC=C(C)C)cc2O)C(C(C)C)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -14.385
InChIKey:XJRRCAVGKSGEIA-UHFFFAOYSA-N
ID: 70107
SMILES:CC1(C)C2CCC(C)=CC2c2c(O)cc(CCc3ccccc3)cc2O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.486
CB1 binding score: -19.258
InChIKey:DYHMKBLKWFFFSZ-UHFFFAOYSA-N
ID: 70108
SMILES:O(c1c2c(cc(CCCC)c1)OC(C)(C)C1C2CC(=C)CC1)C(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -15.016
InChIKey:KVWONRSVQUPPIP-UHFFFAOYSA-N
ID: 70109
SMILES:C(CCCC)c1cc(O)c(C2C=C(C)C(O)CC2C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.238
InChIKey:BJYXQJGARPKCEI-UHFFFAOYSA-N
ID: 70110
SMILES:CC1=CC(c2ccc(CCCCCC)cc2)C(C(O)(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.513
CB1 binding score: -16.579
InChIKey:JNOPEZOPWPXYAL-UHFFFAOYSA-N
ID: 70111
SMILES:Oc1c(OC)c2c(c(C)c1CCCl)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.886
CB1 binding score: -15.97
InChIKey:FROQSNMJOLPCBJ-UHFFFAOYSA-N
ID: 70112
SMILES:c12c(cc(CCCCC)c(C(O)=O)c1O)OC(C)(C)C(=O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.358
CB1 binding score: -16.581
InChIKey:FGCFVMBJPABCLT-UHFFFAOYSA-N
ID: 70113
SMILES:C(CCC(C(C)CCC=C(C)C)C)(C)=CCc1c(O)c(O)cc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -15.559
InChIKey:NLEVWKFXIHFQRT-UHFFFAOYSA-N
ID: 70114
SMILES:C1C(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CC(O)C(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.12
InChIKey:ACUCOMFBMPWVMD-UHFFFAOYSA-N
ID: 70115
SMILES:C12C(CO)C(=O)CC1C(C)(C)Oc1cc(CCc3ccccc3)cc(O)c12
Pathway: Shikimates and Phenylpropanoids;Terpenoids
Superclass: Meroterpenoids;Stilbenoids
Class: Cannabinoids;Monomeric stilbenes
MW: 366.457
CB1 binding score: -15.752
InChIKey:KOKSLQABGZOKPZ-UHFFFAOYSA-N
ID: 70116
SMILES:CCCCCc1c(O)c2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.622
InChIKey:VUACIIASMNRNBB-UHFFFAOYSA-N
ID: 70117
SMILES:c12c(c(O)cc(CCCCC)c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.779
InChIKey:ZSDJPGLYWNHCIW-UHFFFAOYSA-N
ID: 70118
SMILES:CC(C1CCC(C)C2C1c1c(O)cc(CC)cc1O2)(O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -15.519
InChIKey:WGJMYWGWOZRDLD-UHFFFAOYSA-N
ID: 70119
SMILES:CC1=CC(c2c(OC)ccc(CCN(C)C)c2)C(C(C)=C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 313.485
CB1 binding score: -18.294
InChIKey:GJDVDGGMUGCJGX-UHFFFAOYSA-N