ID: 60964
SMILES:CC1(C#N)CCC2C(C)(C)Oc3c(c(O)cc(CCCC)c31)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 313.441
CB1 binding score: Not available
InChIKey:DKOHOLBMQVRULK-UHFFFAOYSA-N
ID: 60965
SMILES:C(c1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1)CN
Pathway: Alkaloids;Terpenoids
Superclass: Tyrosine alkaloids;Meroterpenoids
Class: Cannabinoids;Phenylethylamines
MW: 289.419
CB1 binding score: -18.298
InChIKey:PKJCKZZPAVNOCJ-UHFFFAOYSA-N
ID: 60966
SMILES:C(Cc1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1)CC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -16.479
InChIKey:ZQSHZGIOKWJVCS-UHFFFAOYSA-N
ID: 60967
SMILES:c12c(c(=O)cc(CCCCC)cc1O)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.943
InChIKey:WPTOTJRJMXSIFF-UHFFFAOYSA-N
ID: 60968
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 60969
SMILES:CC12CCC3C(C)(C)Oc4cc(CCCCC)cc(O)c4C3C1C(O)(C)CCC2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.602
CB1 binding score: -12.839
InChIKey:RHOMYDMZQURUFK-UHFFFAOYSA-N
ID: 60970
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 60971
SMILES:C(C1Cc2c(c(C(O)=O)c(CCCCC)cc2O)O1)C=C(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -14.42
InChIKey:WAUSWFBPXKLKIE-UHFFFAOYSA-N
ID: 60972
SMILES:O(c1cc(CCCCC)c(Oc2ccc(CCCCC)cc2)c(O)c1C1C=C(C)CCC1C(=C)C)c1ccc(O)c2c1cc(C)cc2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 648.884
CB1 binding score: -15.061
InChIKey:ZENXMOUELILZKO-UHFFFAOYSA-N
ID: 60973
SMILES:C(Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C1CC=C(C)C)(O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 370.489
CB1 binding score: Not available
InChIKey:CGMFJIBJSYEXOU-UHFFFAOYSA-N
ID: 60974
SMILES:c1(CCCCCCCCCCC(C)C)cc(O)c(C2C=C(C)CCC2C(C)=C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.686
CB1 binding score: -14.239
InChIKey:QTAYGZRVJFSQRR-UHFFFAOYSA-N
ID: 60975
SMILES:c1c(O)cc(COCCc2cc3c(c(O)c2)CC2C(C)(CCC2C(=C)C)O3)cc1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.537
CB1 binding score: -13.21
InChIKey:AWAQXOAXXCKPAB-UHFFFAOYSA-N
ID: 60976
SMILES:c1c(-c2ccc(OC)cc2)cc2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.459
CB1 binding score: -16.135
InChIKey:FAZPUDIMYZTGHW-UHFFFAOYSA-N
ID: 60977
SMILES:COc1c(C)cc2c(c1)C(C)(C)Oc1cc(CCCCC)cc(O)c1C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.473
CB1 binding score: -17.617
InChIKey:CMAFWLHXGHPNLI-UHFFFAOYSA-N
ID: 60978
SMILES:CC(C1C(O)C2c3c(O)c(C(O)=O)c(CCCCC)cc3OC2(C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -13.508
InChIKey:HMOWFEBXRLONJM-UHFFFAOYSA-N
ID: 60979
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CC(O)C(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.534
InChIKey:INKUWBOHCFHXTJ-UHFFFAOYSA-N
ID: 60980
SMILES:C(NCCc1ccc(O)cc1)(Oc1c(CCCC)cc2c(c1O)C1C(CCC(C)=C1)C(C)(C)O2)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 479.617
CB1 binding score: -17.75
InChIKey:ZUAAKIIWQVEGED-UHFFFAOYSA-N
ID: 60981
SMILES:O=C1c2c(CCCCC)cc(O)cc2OC(C)(CCC=C(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.307
InChIKey:QWJDJNSAYZTUMX-UHFFFAOYSA-N
ID: 60982
SMILES:O=c1cc2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -16.352
InChIKey:HBEKGUVOOOGBOV-UHFFFAOYSA-N
ID: 60983
SMILES:OC12c3c(O)cc(CCCCC)cc3OC1(C)CCC1C(C)(C)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.739
InChIKey:BIQAJYRHTLVQBY-UHFFFAOYSA-N
ID: 60984
SMILES:C(CCc1cc2c(c(O)c1)C1CC(C)(O)CCC1C(C)(C)O2)C(=O)C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -11.735
InChIKey:VXGVCKJZPSSMCR-UHFFFAOYSA-N