ID: 49981
SMILES:C(CCCCCC)Cc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(=O)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -15.011
InChIKey:BSNPBGZZIRFJPV-UHFFFAOYSA-N
ID: 49982
SMILES:c1(O)cc(CCCCC)c(C(=O)O)c(O)c1CC=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -19.234
InChIKey:SEEZIOZEUUMJME-UHFFFAOYSA-N
ID: 49983
SMILES:C1=C(C(OC)=O)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.943
InChIKey:CCMWHLPOQSRJEP-UHFFFAOYSA-N
ID: 49984
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(O)C(C)(O)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -17.168
InChIKey:PXESYMJXKGDOTG-UHFFFAOYSA-N
ID: 49985
SMILES:CCCCCc1ccc(O)c(C2C=C(C(O)=O)CCC2C(C)=C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -12.951
InChIKey:DPLBUYHIRKZZPS-UHFFFAOYSA-N
ID: 49986
SMILES:C1(C)(C)Oc2cc(CCC)cc(O)c2C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.321
InChIKey:ZROLHBHDLIHEMS-UHFFFAOYSA-N
ID: 49987
SMILES:C1(C=C(CCC=C(C)C)C)Oc2cc(CCCCC)c(C(O)=O)c(O)c2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -13.363
InChIKey:CPJZMYMRUDGYNR-UHFFFAOYSA-N
ID: 49988
SMILES:O1c2cc(CCCCC)cc(O)c2C2C1(O)C(C)(CCC=C(CCC=C(C)C)C)C(OC)CC2CO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 500.72
CB1 binding score: -13.4
InChIKey:QDPNJZPFPMNBFL-UHFFFAOYSA-N
ID: 49989
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C=O)=CC1)=CC(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.446
CB1 binding score: -15.663
InChIKey:YTEPGSNTOAVOOV-UHFFFAOYSA-N
ID: 49990
SMILES:CC1=CC2c3c(O)cc(C)cc3OC(C)(C)C2CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.342
InChIKey:PYHMVTAXZLXDSA-UHFFFAOYSA-N
ID: 49991
SMILES:c1c(CCNC(=O)C=Cc2ccccc2)cc(O)c(C2C=C(C)CCC2C(=C)C)c1
Pathway: Shikimates and Phenylpropanoids;Terpenoids
Superclass: Meroterpenoids;Phenylpropanoids (C6-C3)
Class: Cannabinoids;Cinnamic acid amides
MW: 401.55
CB1 binding score: -12.769
InChIKey:ZXDGUWMXTRGFKE-UHFFFAOYSA-N
ID: 49992
SMILES:COc1cc2c(cc1CCCCC)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -17.982
InChIKey:GLUWKBFJPNDEDK-UHFFFAOYSA-N
ID: 49993
SMILES:O=C(c1c2c(c(O)c(CC=C(CCC=C(C)CO)C)c1)OC(C)(C)C1CCC(C)=CC21)C=CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.646
CB1 binding score: -16.841
InChIKey:VEROLLDZXJKLIN-UHFFFAOYSA-N
ID: 49994
SMILES:C1CC(C)(C)Oc2c(c(O)cc(CCCCC)c2)C1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -18.186
InChIKey:JNZZREXYRLIYDU-UHFFFAOYSA-N
ID: 49995
SMILES:c1(O)c2c(cc(C(CNC)C=C)c1O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 343.467
CB1 binding score: -16.379
InChIKey:FLVKQMJECVLWNH-UHFFFAOYSA-N
ID: 49996
SMILES:CC1(C)C2CC3C(C2(C)C)(Oc2cc(CCCCC)cc(O)c23)CCC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.577
CB1 binding score: -15.419
InChIKey:RSSKSNWIZKZQFK-UHFFFAOYSA-N
ID: 49997
SMILES:C1(C)C2(C)CCC(C)(OO)C=C2c2c(OC)cc(CCCCC)cc2O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -13.857
InChIKey:CBGBDKVBEGSBHW-UHFFFAOYSA-N
ID: 49998
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(C(O)(C)C)CCC(C)(O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.841
InChIKey:UKPNRAMYBFBWKV-UHFFFAOYSA-N
ID: 49999
SMILES:COc1c(OCCCCCC)cc(C)c2c1CC1C(COC(=O)C)(C)CCCC21C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.602
CB1 binding score: -15.915
InChIKey:WYIXKHXHRGYGQN-UHFFFAOYSA-N
ID: 50000
SMILES:c1(CCCCC)ccc(C=O)c2c1OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -15.029
InChIKey:JJXTVQFSEFSGJG-UHFFFAOYSA-N
ID: 50001
SMILES:Oc1c(C(CC(C)C)=O)c(O)c2c(c1)OC(C)(C)C1C2C(O)C(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.465
CB1 binding score: -15.706
InChIKey:NRKWBYGUXKBQEG-UHFFFAOYSA-N