ID: 45739
SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 45740
SMILES:C1(COC(NCCc2ccccc2)=O)=CC2C(CC1)C(C)(C)OC2=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 343.423
CB1 binding score: -14.87
InChIKey:FHIPKCRWFMESCK-UHFFFAOYSA-N
ID: 45741
SMILES:O1C(c2ccc(O)cc2)Oc2c(c(O)cc(CCCCC)c2)C1CC=C(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.5
CB1 binding score: -13.546
InChIKey:ICWPDKSYDIDYMD-UHFFFAOYSA-N
ID: 45742
SMILES:Oc1c2c(c(=O)cc(CCCCC)c1)OC(C)(C)C1C2C=C(CCC=C(C)C)C(=O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.553
CB1 binding score: -16.199
InChIKey:ICPWAEWPFHNKGK-UHFFFAOYSA-N
ID: 45743
SMILES:C(CC)CCc1cc2c(c(O)c1)C1C(CC=C(C)C2)C(C)(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.968
InChIKey:YUMMIAMBVUHOHK-UHFFFAOYSA-N
ID: 45744
SMILES:C12(C)OC3Oc4c(c(OC)cc(CCCCC)c4)C3C(C(O)(C)CCC1O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.52
CB1 binding score: -12.283
InChIKey:HXUVHIXYGKHNDR-UHFFFAOYSA-N
ID: 45745
SMILES:C1=C(C)CC(c2c(O)cc(CCCCC)cc2OC(CCC)=O)C(C(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -14.794
InChIKey:VCBYESYZRUAZHK-UHFFFAOYSA-N
ID: 45746
SMILES:Oc1cc2c(cc1C)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -19.623
InChIKey:MUNXTPXTGBOZLU-UHFFFAOYSA-N
ID: 45747
SMILES:C1(=O)C(C)=C(Cc2c(O)c(C(=O)CC(C(C)=C)CCC)cc(O)c2C)CC(C)(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -16.273
InChIKey:SYMKVXCMBIBDST-UHFFFAOYSA-N
ID: 45748
SMILES:C(CCC)c1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.843
InChIKey:QHCQSGYWGBDSIY-UHFFFAOYSA-N
ID: 45749
SMILES:C12C(C)C(CCC3(C)C=Cc4c(O)c(C)cc(OC)c43)(C)OC1CC(O)C(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.558
CB1 binding score: -13.998
InChIKey:MTOQHPVDPYVCCB-UHFFFAOYSA-N
ID: 45750
SMILES:CC1=CC(c2c(O)c(C(O)=O)c(CCCCC)cc2O)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -18.365
InChIKey:WVOLTBSCXRRQFR-UHFFFAOYSA-N
ID: 45751
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.487
CB1 binding score: -19.108
InChIKey:KCGRQTUOQYSEJY-UHFFFAOYSA-N
ID: 45752
SMILES:C12C(C(C)(C)CCCC1(C)C)c1c(cc(CCCCCO)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -13.995
InChIKey:MQVNWOBRNLIBAE-UHFFFAOYSA-N
ID: 45753
SMILES:CC1(C)Oc2c(c3c(c(O)c2)cc(CCCN)cc3)CC(C(C)=C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 353.506
CB1 binding score: -15.113
InChIKey:PTCZIGCVMYATNU-UHFFFAOYSA-N
ID: 45754
SMILES:CC1(C)C2(C(C)C=CC1=O)c1c(O)cc(CCCCC)cc1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -16.205
InChIKey:BYOGAZYCXGURPE-UHFFFAOYSA-N
ID: 45755
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: 45756
SMILES:C(CCC)Cc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 45757
SMILES:C12C(c3c(cc(CCCCC)cc3O)OC1(C)C)C=C(CO)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -15.97
InChIKey:XZRBPWSJHXTSSU-UHFFFAOYSA-N
ID: 45758
SMILES:C1(C)=CC2C(C(C)(C)Oc3cc(C)c(OC)cc32)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -19.208
InChIKey:DBJJYKXSZRYDDY-UHFFFAOYSA-N
ID: 45759
SMILES:OC(C(CO)O)c1c2c(c(O)c(C)c1O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.438
CB1 binding score: -16.63
InChIKey:XXVNZORYAZEGKK-UHFFFAOYSA-N