ID: 97651
SMILES:BrCC12Oc3c(c(O)cc(CCCCCC)c3)C3OC(C)(C)C3CC1C(CO)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 481.471
CB1 binding score: -18.117
InChIKey:DHNGEEIGVWDPGK-UHFFFAOYSA-N
ID: 97652
SMILES:COc1c(O)c2c(cc1CCCCC)OC(C)(C)C1=C(C(C)CC1)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.374
InChIKey:NTHOLZXKSITCQI-UHFFFAOYSA-N
ID: 97653
SMILES:C1C2C(C)(C)Oc3c(c(O)c(C(OC)=O)c(CCCCC)c3O)C2CC1C(=CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.65
CB1 binding score: -16.069
InChIKey:MBAVPAHKOBORCF-UHFFFAOYSA-N
ID: 97654
SMILES:CC(C1C(c2c(O)cc(CCCCC)cc2O)CC(C)=CC1=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.371
InChIKey:GSRXDBNJPHXNRM-UHFFFAOYSA-N
ID: 97655
SMILES:C1(c2c(O)ccc(CCCC)c2)C(C(C)(O)C)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -16.608
InChIKey:FRWBGSFWWDYVKI-UHFFFAOYSA-N
ID: 97656
SMILES:CC1(C)C2CCC(C)CC2c2c(cc(CCCCC)c(C(=O)OC)c2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -16.556
InChIKey:QIVZOAZCXUQIAD-UHFFFAOYSA-N
ID: 97657
SMILES:OC(Oc1c(CC=C(C)CCC=C(C)C)cc(O)cc1C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -14.946
InChIKey:INMREOGLICZGMO-UHFFFAOYSA-N
ID: 97658
SMILES:CC1=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: 97659
SMILES:O=C1C(C(C)C)C2c3c(cc(CCCCC)cc3O)OC(C)(CC2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.717
InChIKey:INOUTLWOBOUCCJ-UHFFFAOYSA-N
ID: 97660
SMILES:C12C(C)(CCC(Cl)C1(C)C)Oc1c(c(O)cc(CCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.93
CB1 binding score: -18.762
InChIKey:NXFWZNXSMDMHLQ-UHFFFAOYSA-N
ID: 97661
SMILES:C1(C)(COC(C)=O)C2C(C=C(CO)CC2)c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -17.334
InChIKey:XHWZIXCGVHKSGM-UHFFFAOYSA-N
ID: 97662
SMILES:CC(C(CO)Cc1c2c(c(O)c(C(OC(C)(C)C)=O)c1)OC(C)(C)C1CC=C(C)CC21)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.612
CB1 binding score: -0.317
InChIKey:LLTRZQYPPPXZLY-UHFFFAOYSA-N
ID: 97663
SMILES:C(C)CCc1cc(OC)cc2c1C1C(CC=C(C)C1O)C1C(C(OC)CC(=O)O1)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.514
CB1 binding score: -15.811
InChIKey:LXPFLPCUBAHAFX-UHFFFAOYSA-N
ID: 97664
SMILES:C(C1C=C2c3c(cc(CCCCC)c(C=O)c3O)OC2(C)CCC1C(C)(C)O)=CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.635
CB1 binding score: -16.419
InChIKey:LZNAJMXHBKJUPF-UHFFFAOYSA-N
ID: 97665
SMILES:OCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -18.003
InChIKey:GAJQYHUOJWNZPV-UHFFFAOYSA-N
ID: 97666
SMILES:O(c1c2c(cc(CCCCC)c1)OC(C)(C)C1)C(C(C)C)C2C=C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -14.268
InChIKey:NTUUZLXPCUQCLT-UHFFFAOYSA-N
ID: 97667
SMILES:C1C(C(COC(CCc2ccc(OC)cc2)=O)=C)C(c2c(O)cc(CCCCC)cc2)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 476.657
CB1 binding score: -16.719
InChIKey:XJCUGWICRCAUSL-UHFFFAOYSA-N
ID: 97668
SMILES:O1C(=O)C2=CCC(C(C)C)C(c3c(O)cc(CCCCCO)cc3O)CC(C)=C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.542
CB1 binding score: -15.966
InChIKey:IODNUYLRAZIYTP-UHFFFAOYSA-N
ID: 97669
SMILES:CC(C1CCC2(C)Oc3c(c(O)cc(CCCCC)c3)C2C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.855
InChIKey:VBMSTUJNROPVAW-UHFFFAOYSA-N
ID: 97670
SMILES:C1(=C(Cc2c3c(c(O)cc2)CCC(O)C(C)(C)O3)CCC=C(C)C)C=C(C)C(=O)C(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.592
CB1 binding score: -13.26
InChIKey:DUPYVMYQSKWSMW-UHFFFAOYSA-N
ID: 97671
SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N