ID: 99436
SMILES:C(C(C)CC)CCCCCCCCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.712
CB1 binding score: -14.2
InChIKey:NNVPHKPJLWZLIM-UHFFFAOYSA-N
ID: 99437
SMILES:CC1CC=C2C13c1cc(CCCCC)ccc1OC3(C)CCC2C(=C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.546
CB1 binding score: -13.859
InChIKey:LIBISMKWRVXERX-UHFFFAOYSA-N
ID: 99438
SMILES:C(CC)CCC(=O)c1cc2c3c(c1)OC1(C)CC3C(C(C)(C)O2)CC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -13.401
InChIKey:MJEJZEMNRXWVIS-UHFFFAOYSA-N
ID: 99439
SMILES:Oc1cc(CCCCC)cc2c1C(=O)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -14.92
InChIKey:NULYWBJDNGCWJJ-UHFFFAOYSA-N
ID: 99440
SMILES:c1(CCCCC)c(O)cc(C)c(O)c1CC=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -13.999
InChIKey:FISPGTWQMOHBOH-UHFFFAOYSA-N
ID: 99441
SMILES:C1(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 99442
SMILES:CC(=CCc1c(O)c(C(CC(C)C)=O)c(O)c2c1OC(C)(C)C1CCC(C)=CC12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -15.872
InChIKey:UVCXEVDPSWQEJI-UHFFFAOYSA-N
ID: 99443
SMILES:C(CCCC)c1c(O)c(CC=C(CCC=C(C)C)C)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.707
CB1 binding score: -15.146
InChIKey:DJUFWIOIBVGLKE-UHFFFAOYSA-N
ID: 99444
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CCC1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -15.908
InChIKey:QKLAXZKOWNBJQX-UHFFFAOYSA-N
ID: 99445
SMILES:c12c(c(C(=O)O)cc(CCCCC)c1)OC(C)(CCC=C(C)C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -17.383
InChIKey:SIFOHKJCFVEFAC-UHFFFAOYSA-N
ID: 99446
SMILES:ClCC=C1C2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CC(O)C1(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.966
CB1 binding score: -13.661
InChIKey:JWIARCDWYBKBHV-UHFFFAOYSA-N
ID: 99447
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 99448
SMILES:Oc1cc(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: 99449
SMILES:OC12c3c(cc(CCCCC)cc3O)OC(C)(C)C1CC=C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.751
InChIKey:UOSWLQIIJRKKSU-UHFFFAOYSA-N
ID: 99450
SMILES:C(C)(Oc1cc(CCCCC)ccc1C=C(C)C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.421
CB1 binding score: -15.163
InChIKey:OFFJZIGNLLMGFA-UHFFFAOYSA-N
ID: 99451
SMILES:c1(CC=C(CCC=C(C)CCC=C(C)C)C)c(O)cc(CCCCC)c(C(=O)O)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 428.613
CB1 binding score: -18.353
InChIKey:QNRJPRFPLQBROG-UHFFFAOYSA-N
ID: 99452
SMILES:C1(C(=C)C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 99453
SMILES:O=C(C(C)=CC)Oc1c(O)c(C(=O)CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.58
CB1 binding score: -11.942
InChIKey:IPKHDVQCWUXATC-UHFFFAOYSA-N
ID: 99454
SMILES:C1(O)C2C(C)(C)Oc3cc(CCCCC)c(O)c(C)c3C2C2C(C)(O)CCC2C(O)(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.628
CB1 binding score: -17.836
InChIKey:HCKLQJCIWCOEQC-UHFFFAOYSA-N
ID: 99455
SMILES:C(CC=O)c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -15.058
InChIKey:QRZVXHLKASPMCL-UHFFFAOYSA-N
ID: 99456
SMILES:C(C=C(CC=CC(O)(C)C)C)c1c(C(=O)O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -16.316
InChIKey:CUSTZVOZDPGZOT-UHFFFAOYSA-N