ID: 99982
SMILES:BrC12C(C)(C)Oc3c(c(O)cc(CCCC)c3)C1C=C(CO)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 395.337
CB1 binding score: -14.269
InChIKey:ZBGYJYOPAULPBO-UHFFFAOYSA-N
ID: 99983
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(C=O)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -19.053
InChIKey:HQRKNUDGMPVIMO-UHFFFAOYSA-N
ID: 99984
SMILES:COc1cc(CCCC)cc2c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.144
InChIKey:MIOSEPHWQQFWCX-UHFFFAOYSA-N
ID: 99985
SMILES:CCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.843
InChIKey:QHCQSGYWGBDSIY-UHFFFAOYSA-N
ID: 99986
SMILES:CC1CC2C(C(C)(C)Oc3c2c(O)cc(C)c3)CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.405
InChIKey:WZDQNEUKIXYPOF-UHFFFAOYSA-N
ID: 99987
SMILES:c1(O)cc(CCCCC)cc2c1C1C(C(O)(C)CCC2C(C)=C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.987
InChIKey:JIEZEFRFOTXWHY-UHFFFAOYSA-N
ID: 99988
SMILES:C(C(c1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1)O)=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -12.904
InChIKey:BLCAGWHMULBTNL-UHFFFAOYSA-N
ID: 99989
SMILES:O1C(CCC=C(C)C)(C)C(CCC2(C)C=Cc3cc(O)cc(C)c3O2)C1(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -14.826
InChIKey:AZXSNBKWLYGXEN-UHFFFAOYSA-N
ID: 99990
SMILES:C1CC=C(C)C(c2c(O)c(CC=C(C)C)c(O)c(CC=C(C)CCC=C(C)C)c2)CC1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.68
CB1 binding score: -18.554
InChIKey:ASUTURGUYGMVLS-UHFFFAOYSA-N
ID: 99991
SMILES:Oc1cc2c(c(CCCCC)c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.63
InChIKey:LAYHJCJKKWVWTP-UHFFFAOYSA-N
ID: 99992
SMILES:C(CC(C1(C)CCCC2(C)c3c(O)cc(CCCCC)cc3OC21O)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.565
CB1 binding score: -15.544
InChIKey:UYRVLEAKKGNBRO-UHFFFAOYSA-N
ID: 99993
SMILES:C(CCO)c1c(O)c2c(c(C=O)c1O)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.423
CB1 binding score: -15.467
InChIKey:GXXBDCQWBDZJSH-UHFFFAOYSA-N
ID: 99994
SMILES:C(OC(C)=O)C1=CC2C(O)(C(C)C)CC(C)C3(CC2Cc2c(O)cc(CCCCC)cc2O3)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.622
CB1 binding score: -13.761
InChIKey:VLJORFJFSSOUIS-UHFFFAOYSA-N
ID: 99995
SMILES:O(C)c1cc(CCCCC)cc(O)c1C1C=C(C)C(O)CC1C(C)(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -17.334
InChIKey:OXNUFDAXQWXZBP-UHFFFAOYSA-N
ID: 99996
SMILES:C12(O)c3c(O)cc(CCCCC)cc3OC(C)(C)C1CCC2(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -18.775
InChIKey:RAJZYPNAKPJLJI-UHFFFAOYSA-N
ID: 99997
SMILES:C1(C=C(CO)C)Oc2c(ccc(CCCCC)c2)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -13.849
InChIKey:VNTZZWKTTIYDOD-UHFFFAOYSA-N
ID: 99998
SMILES:C12CC=C(CO)CC1C(C)(C)Oc1c2ccc(O)c1C=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.343
CB1 binding score: -14.137
InChIKey:LTHVMNLPBSLRIE-UHFFFAOYSA-N
ID: 99999
SMILES:c1(CCCCC)cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 100000
SMILES:c1c(OC)c(C2C=C(C)CCC2C(=C)C)ccc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.701
InChIKey:QFYIYBNVAPLEFO-UHFFFAOYSA-N
ID: 100001
SMILES:C1(=O)OC2CC(C)C3C12C(C)(C)C1c2cc(CCCCC)ccc2OC1(C)CC3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -15.358
InChIKey:FFPWSUVRTDAOGQ-UHFFFAOYSA-N
ID: 100002
SMILES:CC1(C)Oc2c(c(O)cc(CCCC)c2)C2C1CCC1(C)OC1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -16.846
InChIKey:GIZLYFWUYFQRDK-UHFFFAOYSA-N