ID: 72997
SMILES:C1(C)=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 72998
SMILES:CC1=CC2C(C(C)(C)Oc3c(c(CCCC)c(OC)cc3O)C2)CCC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -16.439
InChIKey:XAMGETYGFIWBJE-UHFFFAOYSA-N
ID: 72999
SMILES:C(C=C)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -18.166
InChIKey:FGEQAFJXCIBXCD-UHFFFAOYSA-N
ID: 73000
SMILES:c1(CC)cc(O)nc2c1[N+]3=C(C(=O)O)C(CC=C(CCC=C(C)C)C)(C)OC3CC(C)=CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 453.603
CB1 binding score: -13.115
InChIKey:AWBCLVDXHOWRHS-UHFFFAOYSA-O
ID: 73001
SMILES:C1C(C)=CC(c2c(O)c(C(O)=O)c(CCCCC)cc2O)C(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.466
CB1 binding score: -14.041
InChIKey:IMWJPYYGNHOGIY-UHFFFAOYSA-N
ID: 73002
SMILES:COc1c(CCCCC)cc(O)c(CC2C(C)(C)C3C(C)(C=CC=C(C)CC2)O3)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.614
CB1 binding score: -14.027
InChIKey:DVDSKSBRVXVHGD-UHFFFAOYSA-N
ID: 73003
SMILES:C1C2C(c3c(cc(CCCCC)cc3O)O1)C=C(C)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -16.215
InChIKey:CQOQZZLLAQHGQU-UHFFFAOYSA-N
ID: 73004
SMILES:c1cc2c(cc1)C1C=C(C(NC)=O)C3C1C(C)(O)CCC3C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 341.451
CB1 binding score: -13.534
InChIKey:ZNQUUQNMWYSBPA-UHFFFAOYSA-N
ID: 73005
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 73006
SMILES:c1(O)c(CC(C)(O)C)c(O)c2c(c1)C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -11.814
InChIKey:IGLWOBDWOLKRPE-UHFFFAOYSA-N
ID: 73007
SMILES:c1c(CCCCC)cc2c(c1O)C1(C(=O)O2)CC(C(C)=C)CCC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.302
InChIKey:XIZIQCFDYLPABQ-UHFFFAOYSA-N
ID: 73008
SMILES:C(C1(C)Oc2cc(CCCCC)c(OC)cc2C=C1)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -14.982
InChIKey:GGSMGNVFHLTSGO-UHFFFAOYSA-N
ID: 73009
SMILES:C1(C)=CCC2C(C1)c1c(OC)cc(CCCC=CCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -15.382
InChIKey:AFXIDOMLUMOKHS-UHFFFAOYSA-N
ID: 73010
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2C=C(C(=O)OC)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.943
InChIKey:CCMWHLPOQSRJEP-UHFFFAOYSA-N
ID: 73011
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1C2C2C(CC(O)C(O)CCC=C(C)CCC(=O)c3ccccc3)C2(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 602.856
CB1 binding score: -16.11
InChIKey:HCNKSKRYKFIWNI-UHFFFAOYSA-N
ID: 73012
SMILES:c12cc(CCCCC)cc(O)c1OC(C)(C)C1C2=CC(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.269
InChIKey:DJPOSMYDHBKFFL-UHFFFAOYSA-N
ID: 73013
SMILES:C1(C)(C)C2CCC(C)C2(CCC(=CCc2c(O)cc(CCCCC)c(O)c2O)C)OO1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.601
CB1 binding score: -15.519
InChIKey:WWACBGVKWWKYDZ-UHFFFAOYSA-N
ID: 73014
SMILES:c1(C(=C(C)C)O)c2c(c(C)ccc2C(=C)C)cc(C)c1-c1c2c(cc(C)c1O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 522.729
CB1 binding score: -16.717
InChIKey:YXXXTKFKXCQFEN-UHFFFAOYSA-N
ID: 73015
SMILES:CC(=CCCC1(C)Oc2c(c(O)cc(CCCCC)c2)C=C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 73016
SMILES:C(C)(CC)C(OCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(CO)=CC1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -16.015
InChIKey:SWEOSRKKURNDLW-UHFFFAOYSA-N
ID: 73017
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2CC(C(=O)O)(CC2)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.439
CB1 binding score: -13.197
InChIKey:SUIUHCKQRCANDQ-UHFFFAOYSA-N