ID: 87823
SMILES:CC1(C)C2CC(C)=CC(C1)c1c(O)c(C(=O)CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -13.905
InChIKey:PURBMNUFTGOKCC-UHFFFAOYSA-N
ID: 87824
SMILES:C1CCC(C)(C)C(c2c(O)cc(CCCCC)cc2)=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.459
CB1 binding score: -16.687
InChIKey:SBMYYUCARPASDK-UHFFFAOYSA-N
ID: 87825
SMILES:C1(C)=CCCC2(C)Oc3c(c(O)cc(CCC)c3C=O)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -14.342
InChIKey:ZXILMCMULAMNNL-UHFFFAOYSA-N
ID: 87826
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C(O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.365
CB1 binding score: -19.729
InChIKey:GIIVGKMZIUKMMN-UHFFFAOYSA-N
ID: 87827
SMILES:CC(CCC(=O)OC)c1c(O)c(C)cc2c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -13.883
InChIKey:RTBRBXYHEIQQBE-UHFFFAOYSA-N
ID: 87828
SMILES:C(C)CCCc1c(C(=O)O)c(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -18.365
InChIKey:WVOLTBSCXRRQFR-UHFFFAOYSA-N
ID: 87829
SMILES:c1(CC=C(C)CCC=C(C)C)c2c(cc(OC)c1C(C)C)OC(C)(C)C1C2C=C(C(O)=O)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.662
CB1 binding score: -14.976
InChIKey:NNEYOTDHIMHCCP-UHFFFAOYSA-N
ID: 87830
SMILES:C(c1c(OC)c(O)c2c(c1)OC(C)(C)C1C2C(C)CCC1)CCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -14.907
InChIKey:OEXPJQJCVFFTCU-UHFFFAOYSA-N
ID: 87831
SMILES:c1(O)cc(CCCCC)cc2c1C1C(C(CO)C(O)CC1C)CC(C=C(C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.575
CB1 binding score: -16.335
InChIKey:JOBNKTXIFFNGHE-UHFFFAOYSA-N
ID: 87832
SMILES:CC(=CCc1c(O)cc(C(CCC)OC)cc1O)CCC=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 400.603
CB1 binding score: -14.365
InChIKey:VVVNKCWJSJUQJC-UHFFFAOYSA-N
ID: 87833
SMILES:CC1(C)Oc2c(c(O)c(C(OC)=O)c(CCC)c2)C2CCC(C)=CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.614
InChIKey:WXIYCSHHBGJWIX-UHFFFAOYSA-N
ID: 87834
SMILES:CCCCCc1cc2c(c(O)c1)C1CC(C(=C)C)CCC1(C)C(C)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.578
CB1 binding score: -16.216
InChIKey:XNXWZVYKATVDLK-UHFFFAOYSA-N
ID: 87835
SMILES:C(O)(=N)CCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 301.386
CB1 binding score: -14.193
InChIKey:NBIMJJQNOQVPRD-UHFFFAOYSA-N
ID: 87836
SMILES:CC1=CCC2=C(C(C)(C)Oc3c2c(O)cc(CCC)c3C(=O)O)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -15.591
InChIKey:HZCOISDNBNEIMX-UHFFFAOYSA-N
ID: 87837
SMILES:C1CC(C)=CC2C1C(C)(C)Oc1c2c(OC)cc2c1CC[N+](C)(C)C2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.53
CB1 binding score: -15.602
InChIKey:NFXWKTTVEVRUAX-UHFFFAOYSA-N
ID: 87838
SMILES:O(C(C)=O)c1c(C)c(C2C=C(C)CCC2C(C)C)c(O)c(CC=C(CCC=C(C)C)C)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.651
CB1 binding score: -14.914
InChIKey:KOUKWEHXIGXEHA-UHFFFAOYSA-N
ID: 87839
SMILES:C1C(=O)C2(C)CC1c1c(cc(CCCCC)c(C(=O)O)c1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -16.54
InChIKey:CGGYTCSHCNEHGF-UHFFFAOYSA-N
ID: 87840
SMILES:c1c(O)c(C)c2c(c1CC(C)=O)CC1Cc3c(ccc(O)c3)OC(C(NCC)(C)C)C1(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 453.579
CB1 binding score: -15.783
InChIKey:WTWWHKOBFBKFAY-UHFFFAOYSA-N
ID: 87841
SMILES:C(Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(O)(C)C(O2)C1)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.575
CB1 binding score: Not available
InChIKey:MKDNHVNBLOIUHM-UHFFFAOYSA-N
ID: 87842
SMILES:O=C(CC(C)C)Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CC(O)C(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -15.408
InChIKey:CEYRYCXDXFMQDX-UHFFFAOYSA-N
ID: 87843
SMILES:C(c1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.532
InChIKey:REOZWEGFPHTFEI-UHFFFAOYSA-N