ID: 113380
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 113381
SMILES:O(C)c1c(C)cc(O)c2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -16.646
InChIKey:MHWPUBDVHSMUJZ-UHFFFAOYSA-N
ID: 113382
SMILES:c1(OC)c2c(cc(CCCCC)c1)OC(CCC=C(C)C)(C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -19.589
InChIKey:CWOKQYMTXTXLDW-UHFFFAOYSA-N
ID: 113383
SMILES:C1C(C)=CC(c2c(O)cc(CCC)cc2O)C(C(=C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.532
InChIKey:REOZWEGFPHTFEI-UHFFFAOYSA-N
ID: 113384
SMILES:Oc1cc(CCC)cc(O)c1C1C=C(C)CCC1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.532
InChIKey:REOZWEGFPHTFEI-UHFFFAOYSA-N
ID: 113385
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)c1ccc(C)cc1-2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 113386
SMILES:C(C1(C)Oc2ccc(CCCCC)cc2C=C1)CC=C(C)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.589
CB1 binding score: -16.943
InChIKey:OPCJMYVYOPKLJI-UHFFFAOYSA-N
ID: 113387
SMILES:O(C(=O)c1cnccc1)C1C(C)=CC2c3c(cc(CCCCC)cc3OC(C)=O)OC(C)(C)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 463.574
CB1 binding score: -15.204
InChIKey:TWEUYSJIBNGCFL-UHFFFAOYSA-N
ID: 113388
SMILES:C1(=O)CCC(C)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -15.929
InChIKey:LXQBECKUEOJZGC-UHFFFAOYSA-N
ID: 113389
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(=O)CC12)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -14.55
InChIKey:BZNRBFRKYFAALY-UHFFFAOYSA-N
ID: 113390
SMILES:C1(C)(C)C2CCC(C)CC2c2c(c(O)cc(CCCCC)c2)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -16.502
InChIKey:RRTCKFILLWCXSO-UHFFFAOYSA-N
ID: 113391
SMILES:C12C(C)(O)CCC(C(C)(C)OO)C1c1c(cc(CCCCC)cc1OC)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.509
CB1 binding score: -14.938
InChIKey:GDWKXERSIRWMAF-UHFFFAOYSA-N
ID: 113392
SMILES:C1(C)CC(c2c(O)cc(CCCCC)cc2O)C(C(C)=C)CC1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -16.515
InChIKey:VNLYLBRAWHNZFD-UHFFFAOYSA-N
ID: 113393
SMILES:O1c2c(c3c(c(O)c2)C2C=C(C)CCC2C(C)(C)O3)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -14.988
InChIKey:HQTNHSSXUHEHKG-UHFFFAOYSA-N
ID: 113394
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: 113395
SMILES:c1(C)ccc(C2C(C(=C)C)CCC(C)=C2)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.362
CB1 binding score: -19.801
InChIKey:MISWBPJELUDMFI-UHFFFAOYSA-N
ID: 113396
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)c1ccc(C)cc1-2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 113397
SMILES:c1(O)ccc(C2C(C(=C)C)CCC(C)=C2)c(O)c1OC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -15.772
InChIKey:REHNHMQBHJOPJI-UHFFFAOYSA-N
ID: 113398
SMILES:C1(=C)C(C)CCC(C(C)=C)C(c2c(O)cc(O)cc2CCCC)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.379
InChIKey:CQWJGKMQFUJJDN-UHFFFAOYSA-N
ID: 113399
SMILES:O1c2cc(CCCCC)cc(O)c2C2C=C(C)CCC2C1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.945
InChIKey:BMHWBDFIQAZUEO-UHFFFAOYSA-N
ID: 113400
SMILES:c1(O)cc(CCCCC)cc2c1C1C(C(=C)C)CCC(C)(O2)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -17.078
InChIKey:YZQTVMSDGCKDQL-UHFFFAOYSA-N