ID: 84358
SMILES:O=C1C(O)C2C(CC(C)(C)C2)C2c3c(O)cc(CCCCC)cc3OC12C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -13.249
InChIKey:DDDRXOMOCFXOBG-UHFFFAOYSA-N
ID: 84359
SMILES:C(=C(C)C)CCC(C)=CCc1c(O)cc(CCCCCO)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.775
InChIKey:BPLYFGRGSWNQPD-UHFFFAOYSA-N
ID: 84360
SMILES:c1c(Cc2ccccc2C)c(O)ccc1-c1nc(C2C=C(C)CCC2C(C)=C)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 559.794
CB1 binding score: -15.686
InChIKey:JQMCLKXREUDSAO-UHFFFAOYSA-N
ID: 84361
SMILES:OCc1c(O)c2c(c(C(C)C)c1O)OC(C)(C)C1CC=C(C)CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -13.801
InChIKey:NUBIEJODVFFSCY-UHFFFAOYSA-N
ID: 84362
SMILES:CC(CCC=C(C)C)=CCc1c(CCCCC)cc(O)c(C2C(O)C(O)C(O)C(CO)O2)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.626
CB1 binding score: -14.879
InChIKey:XFIPXNNVIXIJEE-UHFFFAOYSA-N
ID: 84363
SMILES:O=C(CC(C)C)Oc1cc(CCCCC)cc(OC(=O)C)c1C(=O)OC1C2(C)C3(C(C)(C(C)=C(C)C3O)C1)CCC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 568.751
CB1 binding score: -14.217
InChIKey:ZJVSJBAIEIKONF-UHFFFAOYSA-N
ID: 84364
SMILES:C(=C)(C)C1CCC(C)(O)C1C(=O)c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -13.429
InChIKey:ZOHVDJSPGWWVEK-UHFFFAOYSA-N
ID: 84365
SMILES:C(=CC)(C)C(=O)Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CC(O)C(O)(C)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.584
CB1 binding score: -14.322
InChIKey:HDCRTFFCAPKYTM-UHFFFAOYSA-N
ID: 84366
SMILES:C(Cc1cc(O)c2c(c1)OC1(C)C(C2)C(C)(C)O1)(C)C1C(C=C(C)C)Oc2cc(C)c(O)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.602
CB1 binding score: -15.302
InChIKey:NDSGKGUWYIHYAY-UHFFFAOYSA-N
ID: 84367
SMILES:CC1(C)Oc2c(c(O)cc(C)c2)C2C=C(C)CCC12CCC(CCC1C(C)(C)C(=O)CC=C1C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.717
CB1 binding score: -15.981
InChIKey:BOYSQLRXWRNYJF-UHFFFAOYSA-N
ID: 84368
SMILES:Oc1c(C(CCCC(C)C)=O)c(C=O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.516
CB1 binding score: -13.585
InChIKey:YXLCODBYRCJRKG-UHFFFAOYSA-N
ID: 84369
SMILES:C(=O)(C(C)CC)Oc1c2c(c3c(c1)C(=O)OC3)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.472
CB1 binding score: -13.149
InChIKey:SDJHPAQIARNCCY-UHFFFAOYSA-N
ID: 84370
SMILES:C1CC(C)C(c2c(O)cc(CCCCC)cc2)(C)C2CC(C)=CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.551
CB1 binding score: -15.516
InChIKey:DCPLNOLQVGYLII-UHFFFAOYSA-N
ID: 84371
SMILES:c1(O)cc(CCCCC)c2c(c1)-c1c(cc(O)c(C)c1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -15.929
InChIKey:RBGMKFVLDFKZBA-UHFFFAOYSA-N
ID: 84372
SMILES:C(Cc1c(O)c2c(cc1OC1C=C(C)CCC1C(=C)C)OC(C)(C)CC2=CC)=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.609
CB1 binding score: -12.39
InChIKey:YOEKTMPBFLZDEI-UHFFFAOYSA-N
ID: 84373
SMILES:c12c(cc(CCCCC)cc1)OC(C)(C)C(O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -17.619
InChIKey:SHMQTPLCNHANSO-UHFFFAOYSA-N
ID: 84374
SMILES:CC1CCC(C(C)C)C(c2c(O)cc(CCCCCO)cc2O)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.499
CB1 binding score: Not available
InChIKey:SMSAUCOMEZAESV-UHFFFAOYSA-N
ID: 84375
SMILES:OC(=O)C1=CC2C(CC1)C(C)(C)Oc1c2c(O)cc(CCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -18.036
InChIKey:BTTRWQMCLAXICU-UHFFFAOYSA-N
ID: 84376
SMILES:C1CC(C)=CC(c2ccc(CCCCC)cc2)C1C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.487
CB1 binding score: -19.108
InChIKey:KCGRQTUOQYSEJY-UHFFFAOYSA-N
ID: 84377
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)Cc1ccccc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.513
CB1 binding score: -19.111
InChIKey:WXYSXCKLHVPERM-UHFFFAOYSA-N
ID: 84378
SMILES:C1(O)(C)CC2C(C(C)(C)Oc3c2c(O)cc(CCC)c3)C=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -17.379
InChIKey:CVDJYCLMBQHDGO-UHFFFAOYSA-N