ID: 113527
SMILES:C1(C)CC2C(C(C)(C)Oc3c2cc(CCCCCN=C(C)C=C)cc3)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 367.577
CB1 binding score: -15.358
InChIKey:XRHVNAHGJSGORV-UHFFFAOYSA-N
ID: 113528
SMILES:C12=CC(CO)CCC1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.894
InChIKey:OFJKLEJXGTVHID-UHFFFAOYSA-N
ID: 113529
SMILES:C123c4c(O)cc(CCCCC)cc4OC(C)(C)C1CCC(C)C2CC3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -13.469
InChIKey:BRPDVYXRALWDEH-UHFFFAOYSA-N
ID: 113530
SMILES:C1(C(C)C)C(c2c(O)cc(CCC)cc2O)CC(O)(C)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.419
CB1 binding score: -14.301
InChIKey:MUNYRPGFAAANFM-UHFFFAOYSA-N
ID: 113531
SMILES:c12c(O)cc(CCCN)c(O)c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 317.429
CB1 binding score: -16.735
InChIKey:VBTXZMSBBJEOLS-UHFFFAOYSA-N
ID: 113532
SMILES:CC1(C)C2(c3c(CCCCC)cc(CC=C(C)C)c(O)c3OC(C)(C)C=C2)C(=O)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.625
CB1 binding score: -14.324
InChIKey:STLOOXXQSJOPEY-UHFFFAOYSA-N
ID: 113533
SMILES:C(C1CCC(C)=CC1c1c(O)cc(CCCCC)c(C(O)=O)c1O)(C(C)C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -11.635
InChIKey:LTMCVRCRAPWTJM-UHFFFAOYSA-N
ID: 113534
SMILES:Oc1c(C2C(C(C)=C)CCC(C)=C2)c(O)cc(CO)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.441
InChIKey:UKTGXEQHQBLPRE-UHFFFAOYSA-N
ID: 113535
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C(O)CCC(C)(O)C=CC(O)C(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.574
CB1 binding score: -12.124
InChIKey:YZAMEDWHILYQHD-UHFFFAOYSA-N
ID: 113536
SMILES:Oc1cc(CCCCC)cc2c1-c1c(O)cc3c(c1C1(C(C)(C)C2CC(O)C1C)O3)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.565
CB1 binding score: -14.721
InChIKey:JVYGACIUQGPLOV-UHFFFAOYSA-N
ID: 113537
SMILES:c1c(OC)c2c(cc1CCC)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.942
InChIKey:UYHWQEJJUFTJGQ-UHFFFAOYSA-N
ID: 113538
SMILES:C1C(C(=C)C)C(c2c(OC)cc(OC)c(C)c2Oc2c(CC=C(C)C)c(O)cc(CCCCC)c2)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 532.765
CB1 binding score: -14.111
InChIKey:JBVIDGAPXGAFQF-UHFFFAOYSA-N
ID: 113539
SMILES:c1(C2C=C(C)CCC2C(C)=C)c(O)c(CC=C(C)CCC=C(CCC=C(C)C)C)c(O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.691
CB1 binding score: -16.606
InChIKey:LBSWZNPZVSJAJO-UHFFFAOYSA-N
ID: 113540
SMILES:C1C(=O)C(CO)(O)CC2C1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.466
CB1 binding score: -16.074
InChIKey:IBYCKWVLHVKZSU-UHFFFAOYSA-N
ID: 113541
SMILES:C(Cc1cc(O)cc2c1OC(C)(C)C1CCC(C)=CC12)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.058
InChIKey:SYLMJTKDZIFVGB-UHFFFAOYSA-N
ID: 113542
SMILES:C(C(C)C)Oc1cc(CCCCC)c(C(=O)O)c2c1OC(C)(CCC=C(C)C)C=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -15.735
InChIKey:RNDZDEIVPWXZFD-UHFFFAOYSA-N
ID: 113543
SMILES:c1(Cc2cc(CCCCC)ccc2O)c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)cc1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 420.593
CB1 binding score: -17.135
InChIKey:LOUXSDVEABCCTH-UHFFFAOYSA-N
ID: 113544
SMILES:CC1=CC(c2cc(CCNCCC(C)C)ccc2OC)C(C(C)=C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 355.566
CB1 binding score: -12.926
InChIKey:GCEAXCMFJMTMKV-UHFFFAOYSA-N
ID: 113545
SMILES:c12c(O)c(O)c(OC)cc1C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.359
CB1 binding score: -15.772
InChIKey:MPDMMNPIGBPHBP-UHFFFAOYSA-N
ID: 113546
SMILES:C(CCC=C(C)C)(C)=CCc1c(=O)c(O)c(O)c(O)c2c1OC1(C)CCC(C(C)C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.58
CB1 binding score: -12.333
InChIKey:COAHPOWTQAYRNC-UHFFFAOYSA-N
ID: 113547
SMILES:c1c(CC=C(CCC=C(C)C)C)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 300.486
CB1 binding score: -19.003
InChIKey:KXYIDYXHLDYCQN-UHFFFAOYSA-N