ID: 115333
SMILES:C12Cc3c(ccc(CCCCCC)c3)OC3(C(C)CC(=O)C(C(=CC=CC(C)(C)OO)C)C3)C1(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 496.688
CB1 binding score: -12.676
InChIKey:WIBCVBFZPMDDEG-UHFFFAOYSA-N
ID: 115334
SMILES:C12CC1(C)CCC1C(C)(C)Oc3cc(CCCCC)cc(O)c3C1C=C2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -15.383
InChIKey:UNDVKJUSJSMEPL-UHFFFAOYSA-N
ID: 115335
SMILES:c1(C)c(O)cc2c3c1c(=O)c(O)c(CCCCC)cc3OC(C)(C)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -13.489
InChIKey:ZBLUNUPCXHRFNW-UHFFFAOYSA-N
ID: 115336
SMILES:c12c(cc(CCCCC)cc1OC)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.348
InChIKey:FJRQDVCLUUZSIG-UHFFFAOYSA-N
ID: 115337
SMILES:C1C(C)(O)C2C(c3c(O)cc(C(C)C(CC)O)cc3O2)C(C(C)=C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.385
InChIKey:WHXWTYCTTYAPAS-UHFFFAOYSA-N
ID: 115338
SMILES:C1(C)(C)Oc2cc(CCCC)cc(O)c2CC1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.322
CB1 binding score: -16.226
InChIKey:RMJPFDTTXLMBQU-UHFFFAOYSA-N
ID: 115339
SMILES:CC1(C)C2CCC(C)=CC2c2cc(cc(C)c2)O1
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 242.362
CB1 binding score: -15.562
InChIKey:PHEVAVYHJDKZGS-UHFFFAOYSA-N
ID: 115340
SMILES:C(CC1(C)C2c3c(O)cc(C)cc3OC(C)(C)C2CC1)(C)(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -15.645
InChIKey:MMRMBYBTTBDSPY-UHFFFAOYSA-N
ID: 115341
SMILES:C(C1=CCCC(=C)C(c2c(O)cc(CCCCC)cc2OC)C1)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -15.053
InChIKey:HDHMBNCMVBBKNQ-UHFFFAOYSA-N
ID: 115342
SMILES:C1CC(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)C1C(C)(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -17.401
InChIKey:VUKUZKSYXNLTPC-UHFFFAOYSA-N
ID: 115343
SMILES:c1(CCCCCC)cc2c(c(O)c1)C1CC(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -18.766
InChIKey:OKXUDFJPZMVBEH-UHFFFAOYSA-N
ID: 115344
SMILES:C1(C)=CC2(O)C(CC1)C(C)(C)Oc1c2c(O)c(C(=O)O)c(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -16.645
InChIKey:GXWMDCCYMCUHLL-UHFFFAOYSA-N
ID: 115345
SMILES:CC(C(O)CCC(C)=CCc1c(O)cc(CCCCC)cc1O)(C)O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.499
CB1 binding score: -18.15
InChIKey:OWSPBIWYEIHDKZ-UHFFFAOYSA-N
ID: 115346
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C=CCC(C)(C=C)O2)CC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -14.158
InChIKey:WASHNYKIKZMFIX-UHFFFAOYSA-N
ID: 115347
SMILES:O=C1OC(C=C(C)C)C(c2c(O)cc(CCCCC)cc2O)C1(C=C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.136
InChIKey:FRQNLBKFIUIBRD-UHFFFAOYSA-N
ID: 115348
SMILES:O(c1cc(CCCCC)cc2c1-c1c(CCC=C(CCC=C(C)C)C)c(O)cc(C)c1)C(C(C)=C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 500.767
CB1 binding score: -15.562
InChIKey:ACVBPABNQUNPFV-UHFFFAOYSA-N
ID: 115349
SMILES:c12cc(CCCCC)cc(O)c1C1C=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: 115350
SMILES:c12cc(CCCCC)cc(O)c1C1C(C(C)(C)O2)CCC(C=CC=C(C)C)(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -14.254
InChIKey:JAVNADGIMMUJAM-UHFFFAOYSA-N
ID: 115351
SMILES:C12C(c3ccc(O)cc3)Oc3cc(O)cc4c3C1C=C(C(C)C)C4Oc1c(c(O)cc(CCC)c1)C2CC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 552.711
CB1 binding score: -11.737
InChIKey:DZVUSUWHOKSCIA-UHFFFAOYSA-N
ID: 115352
SMILES:CC(CO)C1CCC(C)=CC1c1c(O)cc(CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -16.625
InChIKey:QAYRVFPQACQWHF-UHFFFAOYSA-N
ID: 115353
SMILES:CC(CC)c1cc(C2CC(C(O)=O)CC=C2c2ccc(O)cc2)c(O)c(C2C=C(C)CCC2C(C)=C)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 516.678
CB1 binding score: -13.082
InChIKey:SRKQFZGAWUIRFM-UHFFFAOYSA-N