ID: 72850
SMILES:CC(=CCCC(C)=CCc1c(O)c(CCCC)ccc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -18.107
InChIKey:MIXCUUCNJULULK-UHFFFAOYSA-N
ID: 72851
SMILES:C1CC(O)(C)C2C1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -18.762
InChIKey:ICMJYQRNULRNTK-UHFFFAOYSA-N
ID: 72852
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 72853
SMILES:O=C(C)C(CC)Cc1cc2c(c(OC)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -15.116
InChIKey:BTRGUMZTLRTWMH-UHFFFAOYSA-N
ID: 72854
SMILES:C12C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C1C=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 72855
SMILES:C1C(C(C)C)c2c(cc(C(OC(C)=O)c3c(OC)cc(CCCCC)cc3O)c(C)c2)OC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.607
CB1 binding score: -16.517
InChIKey:MVCJUMXUMGWIPZ-UHFFFAOYSA-N
ID: 72856
SMILES:C(C)(C)C1CCC(=C)CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.51
InChIKey:ABUYMDYRFWRXCE-UHFFFAOYSA-N
ID: 72857
SMILES:c12c(cc(CCCCC)cc1O)OC1(C)CC2C(C(O)=O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -15.929
InChIKey:BFCGLRASMNKNJT-UHFFFAOYSA-N
ID: 72858
SMILES:C1(C)(CCC=C(C)C)CCC(C)=CCCC2(C)Oc3c(c(O)cc(CCCC)c3O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.641
CB1 binding score: -16.495
InChIKey:AZLJODMFGAKZNT-UHFFFAOYSA-N
ID: 72859
SMILES:c1(O)cc(CCCCC)c(O)c2c1C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.622
InChIKey:VUACIIASMNRNBB-UHFFFAOYSA-N
ID: 72860
SMILES:c1(=O)ccc2c(O)c(C(C=CC(C)C)CC=C(C)C)cc(O)c2c2c1OC(C)(C)C1CCC(C)=CC1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 504.667
CB1 binding score: -15.519
InChIKey:GDTLUSZHIUHYKE-UHFFFAOYSA-N
ID: 72861
SMILES:C1C(C)=CC(c2c(O)cccc2)C(C(C)=C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 228.335
CB1 binding score: -18.767
InChIKey:FFUBTKRHDZNPRU-UHFFFAOYSA-N
ID: 72862
SMILES:Oc1c(C(=O)C(C)C)c(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -17
InChIKey:WQYRNJBNQPTOAV-UHFFFAOYSA-N
ID: 72863
SMILES:C1=C(C(C)=C)C(c2c(OC)c(CCCCC)cc(C3C=C(C)CCC3C(C)=C)c2O)CC(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 462.718
CB1 binding score: -14.798
InChIKey:WLRSBRXOSNLHSZ-UHFFFAOYSA-N
ID: 72864
SMILES:C(CCC)Cc1cc2c(c(O)c1C(O)=O)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.499
InChIKey:UOTHLTRPWULYMW-UHFFFAOYSA-N
ID: 72865
SMILES:C1C(O)C(O)(C)CC2C1C(C)(C)Oc1c2c(O)cc2c1C1(CC=C(C)CCC1C(C)=C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.58
CB1 binding score: -13.948
InChIKey:OMOYLNJBVUUZGC-UHFFFAOYSA-N
ID: 72866
SMILES:O(C(C)=O)CC12C(CC(C(C)=C)C1)Oc1c(C(=O)C(C)CC)c(O)cc(CCCCC)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.596
CB1 binding score: -15.404
InChIKey:QEWVHSLIMDXUSB-UHFFFAOYSA-N
ID: 72867
SMILES:C(C)(C)=CCCC(=CCc1c(O)cc(CCCCC)c(C=O)c1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 344.495
CB1 binding score: -19.069
InChIKey:ROXSKQXJGMFFHX-UHFFFAOYSA-N
ID: 72868
SMILES:CC(=CCCC(C)=CCCC1(C)Oc2c(c(O)cc(CCc3ccc(O)cc3)c2)OC1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.592
CB1 binding score: -13.596
InChIKey:VLMOJZBAXTUWQK-UHFFFAOYSA-N
ID: 72869
SMILES:C1C(C)=CC2C(C(C)(C)Oc3c2c(OS(=O)(=O)O)cc(C=C(C)C)c3)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.49
CB1 binding score: -12.644
InChIKey:KKDMNVUIOGKYJM-UHFFFAOYSA-N
ID: 72870
SMILES:C(CC)CCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N