ID: 60565
SMILES:C1(C)=CC(c2c(O)ccc(CC[N+](O)(C)C)c2)C(O)C(C)=CCC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.464
CB1 binding score: -15.116
InChIKey:HLUGQRNHAZNFKV-UHFFFAOYSA-O
ID: 60566
SMILES:C=C(C)C1CC(C(=C)C)C(c2c(O)ccc(CCCCC)c2)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 338.535
CB1 binding score: -14.514
InChIKey:CTMICEJKVMQVOS-UHFFFAOYSA-N
ID: 60567
SMILES:c1(C2C(C(C)C)CCC(CO)=C2)c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.196
InChIKey:HQWTZGLRGCSGTB-UHFFFAOYSA-N
ID: 60568
SMILES:C1(C)(C)Oc2c(c(O)cc(CCC)c2)-c2c1c(C)ccc2C=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.393
CB1 binding score: -12.096
InChIKey:RKYSLJUITPPAML-UHFFFAOYSA-N
ID: 60569
SMILES:COc1c(OC)c(OC)c2c(c1)C1CC(C)=CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -16.813
InChIKey:IEEQXRIIQDSNFW-UHFFFAOYSA-N
ID: 60570
SMILES:CC(C1C2(C)C(C)(CC1)C1c3c(cc(CCCCC)cc3O)OC(C)(CCC1)C2)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.658
CB1 binding score: -14.435
InChIKey:FFXRLUNYMHTROD-UHFFFAOYSA-N
ID: 60571
SMILES:C(C1Cc2c(cc(CCCCC)cc2O)OC1C(C)=C)C(=O)O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -13.308
InChIKey:BDKPGLHRVPYWRG-UHFFFAOYSA-N
ID: 60572
SMILES:C1CCC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2=C(C)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.868
InChIKey:MOASYQKTALHGGX-UHFFFAOYSA-N
ID: 60573
SMILES:OC1C(=C)CCC2C(C)(C)Oc3c(c(O)cc(O)c3)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.332
CB1 binding score: -13.912
InChIKey:MWNCGXNSEZLVGX-UHFFFAOYSA-N
ID: 60574
SMILES:C(C)CCCCCCC=CCc1c(C(OC)=O)c(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.651
CB1 binding score: -15.588
InChIKey:MSFMBMJBQHIIOT-UHFFFAOYSA-N
ID: 60575
SMILES:C(Oc1c(CC=C(C)CCC=C(C)C)cc(CCCCC)cc1O)(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -16.438
InChIKey:NNEDTWWXRQBKQB-UHFFFAOYSA-N
ID: 60576
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1C2C=C(C(OC)=O)C2C1C=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.581
CB1 binding score: -16.283
InChIKey:OBQCQCDNRGGMNC-UHFFFAOYSA-N
ID: 60577
SMILES:O=C1CCC(C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -18.186
InChIKey:JNZZREXYRLIYDU-UHFFFAOYSA-N
ID: 60578
SMILES:C(=C(C)C)CCC(C)=CCc1cc(O)cc(CC(OC)OC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -16.633
InChIKey:WMGVPLZPFRBEEX-UHFFFAOYSA-N
ID: 60579
SMILES:O1c2c(c(C)c(Br)c(O)c2)C2C=C(C)CCC2C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 337.257
CB1 binding score: -17.44
InChIKey:SYOOEIKYWAQSPY-UHFFFAOYSA-N
ID: 60580
SMILES:C(Cc1c(O)cc(CCCCC)c(C(=O)O)c1O)=C(C)CCC=C(C)CO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -18.124
InChIKey:GUMRKMJJLHFLMN-UHFFFAOYSA-N
ID: 60581
SMILES:C1Oc2cc(CCCCC)cc(OC3OC(CO)C(O)C(O)C3O)c2C2C1(C)OCC2C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.544
CB1 binding score: -16.798
InChIKey:KOTFTBHZTBGSQN-UHFFFAOYSA-N
ID: 60582
SMILES:c1cc(O)c(CC=C(C)CCC=C(C)C)c2c1C1=C(C(C)(C)O2)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.556
CB1 binding score: -16.349
InChIKey:CAZQSKXLQDULAR-UHFFFAOYSA-N
ID: 60583
SMILES:C(CCCC)c1cc(O)c(C2C(C(=C)C)CC=C(C)C2C(=O)C=C(C)CC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: -14.139
InChIKey:MVBLEPYUSYSVAU-UHFFFAOYSA-N
ID: 60584
SMILES:C1(C)=CC(c2c(O)ccc(-c3c(O)cc(CCCCC)oc3=O)c2O)C(C(=CCC(O)C(C)(O)C)C)CC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 526.67
CB1 binding score: -16.249
InChIKey:MWPHKSHDBDWPSP-UHFFFAOYSA-N
ID: 60585
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2C3C(CC(C)C3)C(C(C)=C)(C1)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -13.39
InChIKey:LZOPXQUOGABFCL-UHFFFAOYSA-N