ID: 79003
SMILES:C1C2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 79004
SMILES:C1(C(C)C)C(c2c(O)cc(CCCCCO)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.781
InChIKey:CTZSPTCATADZMP-UHFFFAOYSA-N
ID: 79005
SMILES:C1C(=O)C(C)C2C1C(C)(C)Oc1c2cc(O)c(C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -16.04
InChIKey:OUYIVAJITHWVND-UHFFFAOYSA-N
ID: 79006
SMILES:C1(C)CCC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -19.029
InChIKey:HCVJHHUJBXZYBI-UHFFFAOYSA-N
ID: 79007
SMILES:C(CC)CCCc1cc2c(c(O)c1)C1C(C(C)(OC)CC1)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -12.371
InChIKey:CAFBRKGOIWMOAU-UHFFFAOYSA-N
ID: 79008
SMILES:CC1CC(C=C(C)C)c2c(O)cc(CCCCC)cc21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.432
CB1 binding score: -16.7
InChIKey:HIEDPAZSJPPMKJ-UHFFFAOYSA-N
ID: 79009
SMILES:O=C(C1(C)C2C(C)(C3(CCC2O)c2c(O)cc(CCCCC)cc2O3)CCC1OC(CCC)=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 486.649
CB1 binding score: -15.411
InChIKey:CCVSCBOQJVKXKL-UHFFFAOYSA-N
ID: 79010
SMILES:C1(C)C(OCC(C)(C)C)c2c(ccc(CCCCC)c2)C2C=C(C)CCC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.605
CB1 binding score: -14.533
InChIKey:YXJOVMNQQNMLGZ-UHFFFAOYSA-N
ID: 79011
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C(=O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -18.771
InChIKey:VGSHJKOXKGYENI-UHFFFAOYSA-N
ID: 79012
SMILES:C(CCCC)=Cc1c(O)c2c(cc1C(C)(C)C=C)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.599
CB1 binding score: -15.296
InChIKey:HWXWLSVJZNSBKW-UHFFFAOYSA-N
ID: 79013
SMILES:Oc1c2c(c(C)cc1OC)C(CC=C(C=C)C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -16.038
InChIKey:LVKAESIYWHYRFZ-UHFFFAOYSA-N
ID: 79014
SMILES:C(C)CCCc1cc(OC)c(C2C3C(C(C=C(C)C)CC2)O3)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -14.925
InChIKey:UHZDOIFJBDRJOC-UHFFFAOYSA-N
ID: 79015
SMILES:CC1=CC2c3c(cc(CCCCC)c(C(=O)O)c3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -19.351
InChIKey:UCONUSSAWGCZMV-UHFFFAOYSA-N
ID: 79016
SMILES:C(Cc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)C2)CC(C)(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -14.008
InChIKey:MQUZNWHRNAUZPF-UHFFFAOYSA-N
ID: 79017
SMILES:C(CCc1cc2c(c(O)c1)C1C(O2)C(O)(C)CCC1C(C)=C)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -14.65
InChIKey:YDRVJIHDCNDVTA-UHFFFAOYSA-N
ID: 79018
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C3(CC(O)C(C)(C)OC32)C=CC(=O)C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -13.886
InChIKey:WVAAXKGBBPAKBH-UHFFFAOYSA-N
ID: 79019
SMILES:c1(OC)cc(C(C)C)cc2c1CC13C(CCC1C(C)(C)O2)(C(C)O3)OC(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -11.674
InChIKey:ZZPDTBPCJUZQMG-UHFFFAOYSA-N
ID: 79020
SMILES:CC1CCC2C(C)(CCCC2(C)C)Oc2c(c(O)cc(CCCCC)c2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.593
CB1 binding score: -16.141
InChIKey:JXVKWEJIZVNTNG-UHFFFAOYSA-N
ID: 79021
SMILES:C1C2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)C2=CC(=C)CCC2(O)C(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: -14.759
InChIKey:OQLFBFSGQLLCMQ-UHFFFAOYSA-N
ID: 79022
SMILES:C(CCCC)c1cc(O)c(C2C=C(C)C(O)CC2=O)c(O)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.386
CB1 binding score: -15.208
InChIKey:QDPBPHNHBAJMLV-UHFFFAOYSA-N
ID: 79023
SMILES:O=C(OCOc1cc2c(cc1CCC)OC(C)(C)C1CCC(C)(O)C21)CCCCCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 460.655
CB1 binding score: -16.709
InChIKey:NVPZBMGMOFHLQV-UHFFFAOYSA-N