ID: 43618
SMILES:C=C1CCCC(=C)CCC2C(C)(C)Oc3cc(CCCCC)c(O)c(O)c3C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -15.68
InChIKey:PWLOIABGGAOTEA-UHFFFAOYSA-N
ID: 43619
SMILES:C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C=C(C(O)=O)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N
ID: 43620
SMILES:c1(C(C)CC=CC(C)C)cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -15.33
InChIKey:LBTYCEFABDTAHK-UHFFFAOYSA-N
ID: 43621
SMILES:O1C(CCC=C(C)C)(C)C2C(C(=O)O1)C=C(CCc1cc(O)ccc1O)C(O)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.487
CB1 binding score: -15.032
InChIKey:PUTRPYWXZLQYIE-UHFFFAOYSA-N
ID: 43622
SMILES:Cc1cc2c3c(c1OC(CCCCCCCCC)=O)OC(C)(C)C1C3CC(C)CC1C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -14.605
InChIKey:WJZQSNZBOQFGFM-UHFFFAOYSA-N
ID: 43623
SMILES:c1(CCCCC)cc2c(c(O)c1)C1CC(C)(O2)CCC1C(C)(O)CO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -15.977
InChIKey:VZPHUIRXRJKYHE-UHFFFAOYSA-N
ID: 43624
SMILES:O=C(CCC(OC)=O)Oc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.433
CB1 binding score: -14.453
InChIKey:ULEVZNYSHZRPFT-UHFFFAOYSA-N
ID: 43625
SMILES:C(C)(C)=CCCC(=CCc1c(O)cc(CCc2ccc(CCCC)cc2)cc1O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.61
CB1 binding score: -15.549
InChIKey:SABKSWRWJQYHLA-UHFFFAOYSA-N
ID: 43626
SMILES:c1(CCCCC)cc(O)c(CC=C(C)CCC=C(C)CCC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 384.604
CB1 binding score: -20.123
InChIKey:WYEFRBILENQYOH-UHFFFAOYSA-N
ID: 43627
SMILES:O1C(C)(C)C2CCC(C)=CC2c2c1c(C(OC)=O)cc(O)c2O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.369
CB1 binding score: -15.609
InChIKey:OAAAVTXXXLGGCU-UHFFFAOYSA-N
ID: 43628
SMILES:c1(O)c(C(C(CC)C)=O)c2c(c(OC)c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.901
InChIKey:LIILJFGNLAVJEO-UHFFFAOYSA-N
ID: 43629
SMILES:Oc1cc(CC)c(O)c(CC=C(C)CCC=C(C)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -17.296
InChIKey:AOHZVNAOWOSDFO-UHFFFAOYSA-N
ID: 43630
SMILES:c12c(c(O)c(OCCC(C)=C)c(CCCCC)c1)C=CC(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -12.835
InChIKey:KTHUJOAFILJZMU-UHFFFAOYSA-N
ID: 43631
SMILES:CC1=CC2C(C(C)C)(Oc3cc(CCCCC)cc(OC)c3C2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -14.793
InChIKey:YKUYCNXEJVEEJC-UHFFFAOYSA-N
ID: 43632
SMILES:c12c(C)c(Cl)c(O)cc1OC(CCCC(C)(C)O)(C)C(C2)OC(C)(C)C1CC=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 465.074
CB1 binding score: -15.513
InChIKey:LZRYGEIBQSRPNP-UHFFFAOYSA-N
ID: 43633
SMILES:C1C(C)(C)C2C1C1OC(C)(C2)Oc2cc(CCCCC)cc(OC)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.065
InChIKey:GBHJRUTZAGCNCO-UHFFFAOYSA-N
ID: 43634
SMILES:c1c(CC=C(C)CCC=C(C)C)c(O)cc(CCCCC)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.968
InChIKey:RNKSQHRRYNTMIO-UHFFFAOYSA-N
ID: 43635
SMILES:O=Cc1c(O)c2c(c3c1OC(C)(C)C1C3C=C(C)CC1)cccc2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 338.403
CB1 binding score: -16.876
InChIKey:WVTMMXNFYWPONJ-UHFFFAOYSA-N
ID: 43636
SMILES:OC(c1c(CC=C(CCC=C(C)C)C)c(O)cc(CCCCC)c1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -18.748
InChIKey:OREPURPMIWNQHO-UHFFFAOYSA-N
ID: 43637
SMILES:C(=CCc1c(O)cc(CC=C(CCC=C(C)C)C)c(O)c1)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.051
InChIKey:TXLIVWXFPYVBTA-UHFFFAOYSA-N
ID: 43638
SMILES:C1C(=O)C2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -11.652
InChIKey:HTMIUXBKRWDZRI-UHFFFAOYSA-N