ID: 100465
SMILES:O(CCCC)C(=O)c1c(O)c(C2CC(C)C(O)CC2C(C)=C)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.602
CB1 binding score: -13.311
InChIKey:AUNYLSQBAKPGNM-UHFFFAOYSA-N
ID: 100466
SMILES:C1(C)=CC2c3c(cc(CCCC)cc3O)OC2(C)OC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -14.433
InChIKey:IRLDCBRHYONLIN-UHFFFAOYSA-N
ID: 100467
SMILES:Oc1c(C(=O)CCc2ccccc2)c2c(c(O)c1CC=C(C)C)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Shikimates and Phenylpropanoids;Terpenoids
Superclass: Meroterpenoids;Flavonoids
Class: Cannabinoids;Chalcones
MW: 460.614
CB1 binding score: -16.4
InChIKey:LENLISOMZSSGQZ-UHFFFAOYSA-N
ID: 100468
SMILES:c1(CCCCC)c(O)cc(OC)c2c1OC1(C)CC=CC(C)(C)C1C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -14.836
InChIKey:GIUFSRQKACRONS-UHFFFAOYSA-N
ID: 100469
SMILES:Oc1cc(CC=C(C)CCC=C(C)C)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17
InChIKey:CUQLLVPNTXISJP-UHFFFAOYSA-N
ID: 100470
SMILES:C(CCC1(C)C=Cc2cc(C)cc(O)c2O1)=C(C)CCC1C(C)(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -15.929
InChIKey:FXVNEUIKXLTLOU-UHFFFAOYSA-N
ID: 100471
SMILES:c1(O)c(C)c(CC)c(OC)c(O)c1C1C(C(C)=C)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -14.605
InChIKey:RRMDGFOLKKXTJT-UHFFFAOYSA-N
ID: 100472
SMILES:C12CC(C(OC)(C)C)CCC1(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -17.372
InChIKey:AEJUPOUTIBTGJH-UHFFFAOYSA-N
ID: 100473
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: 100474
SMILES:c1c(CCC(F)O)cc(CC=C(C)CCC=C(C)C)c(O)c1C(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.458
CB1 binding score: -12.441
InChIKey:HZYNLXBECLQEHR-UHFFFAOYSA-N
ID: 100475
SMILES:Oc1cc(C)c(C2C=C(C)CCC2C(C)=C)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.362
CB1 binding score: -19.175
InChIKey:GJXWWWKLUZSVGM-UHFFFAOYSA-N
ID: 100476
SMILES:c1cc(CCCCC)cc2c1C1CC(C)(O)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.63
InChIKey:JVHZDTKSUFPVNF-UHFFFAOYSA-N
ID: 100477
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 100478
SMILES:C(C1CCC(C)(C)C1c1cc(CCCCC)cc(O)c1O)CC(=CCc1cc(O)cc(C)c1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 480.689
CB1 binding score: -14.255
InChIKey:SOYUDEYOBWBDEG-UHFFFAOYSA-N
ID: 100479
SMILES:Clc1c2c(cc(C(C)C)c1Br)C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 383.757
CB1 binding score: -14.874
InChIKey:CMYCWEJGVJYIOE-UHFFFAOYSA-N
ID: 100480
SMILES:CC(CCCC(C)C)=CCC12OC1C(=O)c1c(cc(CCCCC)cc1OC)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.64
CB1 binding score: -11.958
InChIKey:SESBJCHRDLUAFD-UHFFFAOYSA-N
ID: 100481
SMILES:C=C(C)C1C=[N+]2c3c(cc(O)c(CC=C(C)C)c3O)OC(C)(C)C1CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.486
CB1 binding score: -14.605
InChIKey:DFTVCYMGEXTEKE-UHFFFAOYSA-O
ID: 100482
SMILES:C=C(C)C1(Oc2cc(CCCCC)cc(O)c2)C(C(=C)C)CCC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -14.391
InChIKey:YORDXVMPBCJTGE-UHFFFAOYSA-N
ID: 100483
SMILES:C1(=C)C(=O)OC2C1c1c(OC(=O)C)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.434
CB1 binding score: -15.178
InChIKey:VGVUBWJQZUBAJC-UHFFFAOYSA-N
ID: 100484
SMILES:O(Cc1cc(O)c(CC=C(CCC=C(C)C)C)cc1O)C(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -16.349
InChIKey:RARUNEBGAJPJKV-UHFFFAOYSA-N
ID: 100485
SMILES:C12C(C(C)(C)Oc3cc(CCCCCC)cc(O)c31)CCC(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -18.766
InChIKey:OKXUDFJPZMVBEH-UHFFFAOYSA-N