ID: 86689
SMILES:Oc1c(C(C)C(C(C)=CC)O)cc(O)c2c1OC(C)(C)C1C2C=C(C(=O)O)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.487
CB1 binding score: -15.077
InChIKey:JTFQMCYXQZCWMA-UHFFFAOYSA-N
ID: 86690
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -18.334
InChIKey:JRPARYVCKDQCGY-UHFFFAOYSA-N
ID: 86691
SMILES:c1(O)c2c(cc(C)c1)OC(CCC=C(C)C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -18.174
InChIKey:KFCSDBGFJFKYQA-UHFFFAOYSA-N
ID: 86692
SMILES:COC(c1c2c(cc(O)c1O)C(c1c(O)ccc(CC(O)C(C)(O)C)c1)OC(C)(C)C1C2C=C(C)CC1)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 526.626
CB1 binding score: -15.715
InChIKey:ODKDBTKEKMEOHJ-UHFFFAOYSA-N
ID: 86693
SMILES:Oc1c(O)c2c(cc1)OC(C)(C)C1CC=C(C)CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -16.985
InChIKey:MYRUYLQSQBCOMO-UHFFFAOYSA-N
ID: 86694
SMILES:C(CCC)Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 86695
SMILES:N(=C=S)C1C(C)(C)Oc2cc(CCCCC)cc(O)c2C1=NC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.469
CB1 binding score: -15.372
InChIKey:HYSJGGPTKATIMF-UHFFFAOYSA-N
ID: 86696
SMILES:C(C)CCCCc1cc2c(c(O)c1)C1C(CCC3(C)OC31)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.43
InChIKey:OXORQGMBFRONFT-UHFFFAOYSA-N
ID: 86697
SMILES:c1(OCCCCCCCC)c(C(OCC)=O)c(O)c(C2C=C(C)CCC2C(=C)C)c(OC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.639
CB1 binding score: -15.614
InChIKey:NKEMSQKTILJRQL-UHFFFAOYSA-N
ID: 86698
SMILES:C12C(C)(C(c3c(O)cc(CCCCC)cc3O)CC(C)=C1)CCC2C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -15.929
InChIKey:JFAFERPHGSDKGB-UHFFFAOYSA-N
ID: 86699
SMILES:C1(O)CCC2(C)Oc3c(c(O)cc(CCCCCC)c3)C3OC(=O)C(=C)C3CCC12C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.569
CB1 binding score: -14.58
InChIKey:FIOSCJHZLMCUMG-UHFFFAOYSA-N
ID: 86700
SMILES:OC1=CC(C(CO)=CC2C(C(=C)C)CCC(C)C2O)c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.596
CB1 binding score: -14.605
InChIKey:BDWXRQKFBHNURI-UHFFFAOYSA-N
ID: 86701
SMILES:O1c2cc(CCCC)cc(O)c2C2C3(C)C(CC=C12)C(C)(C)C(OC(=O)C)CC3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -13.833
InChIKey:BLUVCZPQRDILRK-UHFFFAOYSA-N
ID: 86702
SMILES:C1CC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -17.813
InChIKey:KKVTXJLSWQRXEO-UHFFFAOYSA-N
ID: 86703
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -19.804
InChIKey:VGBLUPCGCQUYRW-UHFFFAOYSA-N
ID: 86704
SMILES:c1(CCCC)cc2c(c(O)c1)C1CC(C#C)CCC1(C)OC2C=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.518
CB1 binding score: -15.152
InChIKey:UGPCMLLCZMZIGT-UHFFFAOYSA-N
ID: 86705
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(C(C)(C)O2)CC(OC(C(C)C)=O)C(C)(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.574
CB1 binding score: Not available
InChIKey:SOTFJUBUGVHEJH-UHFFFAOYSA-N
ID: 86706
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -19.792
InChIKey:UGRLMQVLYLFVDE-UHFFFAOYSA-N
ID: 86707
SMILES:C(C)(C)(OO)c1cc(O)c2c(c1)OC(C)(C)C1C(C(C)(O)CC1)C2
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cannabinoids;Guaiane sesquiterpenoids
MW: 336.428
CB1 binding score: -15.092
InChIKey:JCYHDIBVBBGGBY-UHFFFAOYSA-N
ID: 86708
SMILES:C(=CCCC(C)C)(C(O)C)C1(C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.657
CB1 binding score: Not available
InChIKey:BNJZXLOZCZPQGM-UHFFFAOYSA-N
ID: 86709
SMILES:CC1(C)Oc2c(ccc(C)c2OCCCC)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 234.339
CB1 binding score: -16.279
InChIKey:UXHFWXSYPXZZLT-UHFFFAOYSA-N