ID: 59998
SMILES:CC(C(=O)O)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -16.655
InChIKey:ZYZKAFWCKJFAGF-UHFFFAOYSA-N
ID: 59999
SMILES:C(CO)Cc1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -18.187
InChIKey:FUEADGXPHHHKGJ-UHFFFAOYSA-N
ID: 60000
SMILES:C(CCCc1cc2c(c(O)c1)C1C(C(O)(C)C)CCC(C)(O2)C1)C=C(C(CCC(O)(C)C)=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.666
CB1 binding score: -15.941
InChIKey:JGKJJIBFLPGJDW-UHFFFAOYSA-N
ID: 60001
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 312.453
CB1 binding score: -18.585
InChIKey:HVEYNLWUTOKMJT-UHFFFAOYSA-N
ID: 60002
SMILES:CC1=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: 60003
SMILES:C(CC)CCc1cc2c(c(O)c1)C1C=C(C(OC)=O)C(OC(=O)C)CC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.514
CB1 binding score: -18.804
InChIKey:TUDZPCQEENOAQO-UHFFFAOYSA-N
ID: 60004
SMILES:c1(CCCCC)c(O)c2c(c(O)c1C=O)OC(C)(C)C1C2C=C(C(=O)OC)CCC=C(C)CCC=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 538.725
CB1 binding score: -15.791
InChIKey:PYLLZPYEAVSJFW-UHFFFAOYSA-N
ID: 60005
SMILES:CC1=CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -19.026
InChIKey:FJVJQPVMJALOMF-UHFFFAOYSA-N
ID: 60006
SMILES:CC1CCC(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.563
InChIKey:CODIXLGYYWMJFS-UHFFFAOYSA-N
ID: 60007
SMILES:O=C(C)Oc1c2c(OC)cc(CCCCCC)cc2oc1-c1cc2c(cc1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 516.678
CB1 binding score: -14.571
InChIKey:OYYUCFYGDXYDJB-UHFFFAOYSA-N
ID: 60008
SMILES:C12(C)CCC(C(C)=C)C3C1(Cc1c(c(C(=O)O)c(CCCCC)cc1O)O3)C(=O)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.553
CB1 binding score: -14.917
InChIKey:JJHKKGLBNYVXEZ-UHFFFAOYSA-N
ID: 60009
SMILES:C(CCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -18.035
InChIKey:KEAXRVVDSBXMMT-UHFFFAOYSA-N
ID: 60010
SMILES:C1(C)=CC(c2c(O)cc(CCCC(C)O)cc2O)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.686
InChIKey:UZIVICVRBBCBHK-UHFFFAOYSA-N
ID: 60011
SMILES:CC(C(C(C)=CC(CCC)C)C)C=Cc1cc(O)c2c(c1C)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.707
CB1 binding score: -13.912
InChIKey:MNNLWRHCKUHGEO-UHFFFAOYSA-N
ID: 60012
SMILES:O1C2(c3c(cc(CCCCC)cc3O)OC1)CCC1C(C)(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -13.324
InChIKey:YFRGCMPGUHEDQP-UHFFFAOYSA-N
ID: 60013
SMILES:C(CCCc1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -18.488
InChIKey:DRBOYSNODSSITK-UHFFFAOYSA-N
ID: 60014
SMILES:C1C2c3c(cc(CCCCC)cc3O1)OC(C)(C)C2C=CC(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -13.438
InChIKey:YQQVMYYITJWGDD-UHFFFAOYSA-N
ID: 60015
SMILES:c12cc(C)ccc1C(C)(C)Oc1c2c(O)cc(C(CC)O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.382
CB1 binding score: -15.464
InChIKey:IMTSTGLCIBDGJR-UHFFFAOYSA-N
ID: 60016
SMILES:c1(CCCCC)cc2c(c(OC)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.348
InChIKey:FJRQDVCLUUZSIG-UHFFFAOYSA-N
ID: 60017
SMILES:c1(CCCCCC)cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.609
InChIKey:HAKUWGCTBUVNJQ-UHFFFAOYSA-N
ID: 60018
SMILES:C1(CCC=C(C)C)(C)Oc2c(c(O)cc(CCCCC)c2)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N