ID: 32740
SMILES:C(=C(C)C)C(O)CC(C)=CCc1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -18.415
InChIKey:CLZMDUACPPVFTI-UHFFFAOYSA-N
ID: 32741
SMILES:C1=C(C(C)C)C(C=C(C)C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -12.959
InChIKey:KPTTZACAOOWYBY-UHFFFAOYSA-N
ID: 32742
SMILES:CC1(CC=CC(C)(O)C)OC1Cc1c(O)cc(CCCCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 348.483
CB1 binding score: -12.86
InChIKey:VLKFVDKIPQIELU-UHFFFAOYSA-N
ID: 32743
SMILES:C(CC)CCc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(OC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.302
InChIKey:IPGGELGANIXRSX-UHFFFAOYSA-N
ID: 32744
SMILES:C1(C(CCC(C(C)C)CC)C)c2c(cc(CO)cc2O)OC(C)(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.554
CB1 binding score: -12.407
InChIKey:LYUPWONBTFPXSK-UHFFFAOYSA-N
ID: 32745
SMILES:C(C)(C(c1c(O)cc2c(c1)C1C(C(C)(C)O2)CC(=O)C(C)=C1)OC(C)=O)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -15.519
InChIKey:PFRWRNWPMFHDQN-UHFFFAOYSA-N
ID: 32746
SMILES:C(C=C(C)CCC=C(C)C)c1c(-c2ccc(OCC=C)cc2)c(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 512.734
CB1 binding score: -15.922
InChIKey:KIXQPGYNHPVYHP-UHFFFAOYSA-N
ID: 32747
SMILES:c12c(OC)cc(CCCC)cc1OC(CCC=C(C)C)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.901
InChIKey:PUROKSSERMRLRD-UHFFFAOYSA-N
ID: 32748
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 32749
SMILES:Oc1c(O)c2c(cc1CCCCCCCCC)OC(C)(CCC1(C)C(C)=CCCC1C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.684
CB1 binding score: -14.218
InChIKey:HUUPYOYGIYVQHN-UHFFFAOYSA-N
ID: 32750
SMILES:O1C(C)(C)OC2=C1C#Cc1c(O)c3c(cc1C(C)(C)C=C2)OC(C)(C)C1CCC(C)=CC13
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.56
CB1 binding score: -15.979
InChIKey:QDFTXFCNSMZDAD-UHFFFAOYSA-N
ID: 32751
SMILES:CC(C(=O)C(O)C=C(C)C)c1cc(O)c(O)c2c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.515
CB1 binding score: -16.33
InChIKey:XFTNZMXCQSBECV-UHFFFAOYSA-N
ID: 32752
SMILES:CC1CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.876
InChIKey:LVNFKVCNQYPBTD-UHFFFAOYSA-N
ID: 32753
SMILES:Oc1c(C(=O)OC)c(CCC)cc2c1C=CC(CCC=C(C)C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.65
InChIKey:IHRHZABEGGQAJD-UHFFFAOYSA-N
ID: 32754
SMILES:Oc1c2cc(cc1C(C)(C)O)OC(C)(C)C1C2CC(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -15.116
InChIKey:GCXHRPBOJDKTPQ-UHFFFAOYSA-N
ID: 32755
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 32756
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(C)(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.841
InChIKey:UKPNRAMYBFBWKV-UHFFFAOYSA-N
ID: 32757
SMILES:C(CC=C(C)C)C(C)=CCc1c(O)cc(CCC)c(C(=O)O)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -19.667
InChIKey:FAVCTJGKHFHFHJ-UHFFFAOYSA-N
ID: 32758
SMILES:C1(OC(C)=O)C(C)=CC2C(C1)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -17.976
InChIKey:PGFFULLVBBCSMB-UHFFFAOYSA-N
ID: 32759
SMILES:C(CCc1cc(C2C=C(C)CCC2C(C)=C)c(O)c(CC=C(CO)CCC=C(C)C)c1O)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.635
CB1 binding score: Not available
InChIKey:XERDGHPXMREGJI-UHFFFAOYSA-N
ID: 32760
SMILES:C(CCc1cc2c(c(O)c1)C1CC(=C)CC(O1)CC(C)=C2)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -14.583
InChIKey:LLOLNWDQTUFUEF-UHFFFAOYSA-N