ID: 52333
SMILES:C(CCCc1cc2c(cc1)OC(C)(C)C2=C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 230.351
CB1 binding score: -14.041
InChIKey:MPBPDJXQPXRGDI-UHFFFAOYSA-N
ID: 52334
SMILES:c1(OC)c(O)c(C(CC(C)C)=O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -13.932
InChIKey:VGEBJRMJANDICM-UHFFFAOYSA-N
ID: 52335
SMILES:C1(O)C(C)CC2C(C(C)(C)Oc3c(c(O)cc(CCCCCC)c3)C2C=C(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.63
CB1 binding score: -16.438
InChIKey:SKGPBTQSANKBOA-UHFFFAOYSA-N
ID: 52336
SMILES:C(CCCC)c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 52337
SMILES:O=Cc1c(O)c(OC)c2c(c1C(O)=O)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.379
CB1 binding score: Not available
InChIKey:TZSCCGBETVJRPJ-UHFFFAOYSA-N
ID: 52338
SMILES:FC(F)(C(Oc1cc2c(cc1C)OC(C)(CCC=C(C)C)C=C2)=O)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.432
CB1 binding score: -15.608
InChIKey:ZHYWEGAYSBBHQL-UHFFFAOYSA-N
ID: 52339
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 52340
SMILES:C(O)C1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C3C2C1OC3=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -14.835
InChIKey:SURYUCMUYKOWFD-UHFFFAOYSA-N
ID: 52341
SMILES:C1C(=O)C2(C)c3c(O)cc(C(=O)CCCCC)cc3OC(C)(C)C2CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -12.653
InChIKey:GFWLLGBZGFDYLV-UHFFFAOYSA-N
ID: 52342
SMILES:CC1C=C2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.727
InChIKey:YLTWYAXWDLZZCU-UHFFFAOYSA-N
ID: 52343
SMILES:CC1C(=O)C2C(C(C)(C)C)C(=O)CC(C=O)=CC2c2c(O)cc(CCCCC)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.554
CB1 binding score: -14.511
InChIKey:GGZOAXZVCRFTLZ-UHFFFAOYSA-N
ID: 52344
SMILES:c1(O)cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 52345
SMILES:OC(c1cc2c(cc1)OC(C)(C)C1CC=C(C)CC21)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.344
CB1 binding score: -18.038
InChIKey:UUOAKXZPWRBWNL-UHFFFAOYSA-N
ID: 52346
SMILES:C(CCCc1cc(O)c2c(c1)OC(C)(C)C1C2C(O)C(OC)(C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -15.835
InChIKey:VXIBFLASKODQNS-UHFFFAOYSA-N
ID: 52347
SMILES:c1(O)cc(CCCCC)cc2c1C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 52348
SMILES:C(=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)(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: 52349
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -19.804
InChIKey:VGBLUPCGCQUYRW-UHFFFAOYSA-N
ID: 52350
SMILES:C1CC2C(C)(C)Oc3c(c(O)cc(CCCCCCC)c3)C2C(=O)OC1=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -15.433
InChIKey:AVYOYPQTBZESDP-UHFFFAOYSA-N
ID: 52351
SMILES:O(C(C)=O)C(C)(C)C1CCC2(C)C(O2)CCC(C)=CC(Oc2cc(CCCC)ccc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 460.611
CB1 binding score: -16.066
InChIKey:PIAFPJFGMGRDDU-UHFFFAOYSA-N
ID: 52352
SMILES:C1(=CC(CC(=CCc2c(O)c(C)cc(O)c2)O)O)COC2(OC(C)(C)CC2)C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.53
CB1 binding score: -16.924
InChIKey:YVMWFYXGNUVNRA-UHFFFAOYSA-N
ID: 52353
SMILES:O(c1c(CCCC)c(O)c2c(c1C)OC(C)(C)C1C2CC(C)(O)C(O)C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.509
CB1 binding score: -15.644
InChIKey:MVVBSTMSCRKYHI-UHFFFAOYSA-N