ID: 98302
SMILES:c1c(C)c2c(c3c(cc2C)OC(C)(C)C2C3C(C(C)C)CCC2(C)O)c(CC=C)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.609
CB1 binding score: -13.695
InChIKey:JBDPXHVLOKOCHF-UHFFFAOYSA-N
ID: 98303
SMILES:O1C2C3(C(=O)CC(C)(C)C3)COc3cc(C(C)C(C(C)CC)OC(=O)C)cc(O)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.541
CB1 binding score: -12.962
InChIKey:YGLJDHUZCQVBCW-UHFFFAOYSA-N
ID: 98304
SMILES:C1(O)C(C)(C)Oc2cc(CCCCC)cc(O)c2C1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 278.348
CB1 binding score: -18.149
InChIKey:PWNRYJVNGXSCQW-UHFFFAOYSA-N
ID: 98305
SMILES:C12C(c3c(cc(CCCCC)cc3O)OC1(C)CCC(C(C)=C)O)C(=O)C(C(=O)C(C(C)C)=CC)(C(C)=C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 550.736
CB1 binding score: -13.487
InChIKey:SVBHKHYVAMGARK-UHFFFAOYSA-N
ID: 98306
SMILES:CCCCCc1cc2c(c(O)c1)C1CC(CO)=CCC1C(C)(OCC)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -16.816
InChIKey:GRYVVMGRDAMXEP-UHFFFAOYSA-N
ID: 98307
SMILES:c1(C(=O)CC(=O)NCC(O)=O)cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 387.432
CB1 binding score: -14.482
InChIKey:RKLXPOGSFJOSPS-UHFFFAOYSA-N
ID: 98308
SMILES:C(C)CCCCCCCc1cc(C2C=C(CO)CCC2C(CCC=C(C)C)C)c(O)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.712
CB1 binding score: -15.438
InChIKey:HGTUVHKLWCYVBA-UHFFFAOYSA-N
ID: 98309
SMILES:C12C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C1C=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 98310
SMILES:C(CC1C(C(=O)CC(C)C)c2c(cc(CCCCC)cc2O)OC1=O)CCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -13.828
InChIKey:KOAFUIYRBILMJB-UHFFFAOYSA-N
ID: 98311
SMILES:c12c(O)cc(CCCCC)cc1OC(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: 98312
SMILES:C(=Cc1cc(O)c(C2C(C(=C)C)CCC(C)=C2)o1)CCCCCCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.577
CB1 binding score: -15.907
InChIKey:ZDTGBRATWQEOJR-UHFFFAOYSA-N
ID: 98313
SMILES:Oc1cc2c(cc1)OC(C)(C)C1CC=C(C)CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -19.07
InChIKey:LIEZPCZOEMYUIR-UHFFFAOYSA-N
ID: 98314
SMILES:O1C2(c3c(cc(CCCCC)cc3O)OC2(C)C)CC(CC=C(C)C)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -13.496
InChIKey:BMULSGKKNZWNKB-UHFFFAOYSA-N
ID: 98315
SMILES:C1(OCC)C2(C)C(CC3C(C)(C)O3)Oc3c(c(OC)cc(=O)cc3)C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.542
CB1 binding score: -15.352
InChIKey:PWLCXMMEBWLXHD-UHFFFAOYSA-N
ID: 98316
SMILES:C(CC)CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)(O)C=C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.296
InChIKey:FZAGTOJLWTUWJG-UHFFFAOYSA-N
ID: 98317
SMILES:CC(=CCC1C(=O)CCC2C(c3c(O)c(C=O)c(O)c(C=O)c3O)C(c3c(O)cc(CCCCC)cc3O)CC12C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 578.702
CB1 binding score: -10.879
InChIKey:JDXRMIGDQDNTPT-UHFFFAOYSA-N
ID: 98318
SMILES:c1(C(=N)O)cc(CCCCC)cc2c1C1CC(CO)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 359.51
CB1 binding score: -17.232
InChIKey:BRRGHWRGXKSQPS-UHFFFAOYSA-N
ID: 98319
SMILES:C1CC(C(=C)C)C(c2c(O)cc(CCCCC)cc2)C1C(=C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.497
CB1 binding score: -17.024
InChIKey:GEIGFNQVYTXDPF-UHFFFAOYSA-N
ID: 98320
SMILES:C(C(C(=O)c1c2c(ccc1OC)OC(C(C)(C)O)CC2)CCC(C)C)c1cc2c(c(O)c1)C=CC(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 522.682
CB1 binding score: -1.444
InChIKey:JVOHJXZNGOYZNM-UHFFFAOYSA-N
ID: 98321
SMILES:c1(O)c2c(cc(C(C)CCCC(C)C)c1O)OC(C)(C)C1CCC(C)(O)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 376.537
CB1 binding score: -11.674
InChIKey:ZFGBUIURYYVQIU-UHFFFAOYSA-N
ID: 98322
SMILES:O(C(=O)C)c1c(C(OC2(C)C(C(C)=C)CC(C(C)=C)CC2)=O)c(OC)cc(CCCCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 484.677
CB1 binding score: -14.441
InChIKey:DJQBVHMSLNHDHK-UHFFFAOYSA-N