ID: 77386
SMILES:c1(C)c2c(c3c(c(CCCCC)cc(O)c3)c1O)C(C)CO2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -14.436
InChIKey:ZVVFRFZMZIYBLT-UHFFFAOYSA-N
ID: 77387
SMILES:C1(C)c2c(C(=O)OC)c(CCCCC)cc(O)c2OC1(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.402
CB1 binding score: -15.562
InChIKey:OCUWVFUGWQBZFC-UHFFFAOYSA-N
ID: 77388
SMILES:O1C2(C(C)(O)C)C(OC(C)=O)C(OC3C4C(C1C4=C)c1c(O)ccc(O)c13)OC(=O)C2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.452
CB1 binding score: -15.321
InChIKey:VFSZOKAZSBUOCV-UHFFFAOYSA-N
ID: 77389
SMILES:c1(O)c(C(=O)CC(C)C)c2c(c(O)c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.454
InChIKey:DRGZMEOMFRCYTD-UHFFFAOYSA-N
ID: 77390
SMILES:C(c1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1)CC(O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 318.413
CB1 binding score: -18.016
InChIKey:OVJKPQKAIHSVBC-UHFFFAOYSA-N
ID: 77391
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 77392
SMILES:C(CCC)c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.175
InChIKey:RVWTXSLOGRTPEH-UHFFFAOYSA-N
ID: 77393
SMILES:C1C(C=C)(C)C(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)C(C(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -16.249
InChIKey:XKQBDBNJOKFWBO-UHFFFAOYSA-N
ID: 77394
SMILES:C1C(CCC=C(C)C)(C)Oc2cc(CCCCC)c(C(=O)O)c(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -20.196
InChIKey:ZFVHCPUONMELOD-UHFFFAOYSA-N
ID: 77395
SMILES:C1(C)=CC23C(O)(C1)C(C)CCC2C(C)(C)Oc1cc(CCCCC)c(C(=O)O)c(O)c13
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.569
CB1 binding score: Not available
InChIKey:MSNRZJGQHLEWLU-UHFFFAOYSA-N
ID: 77396
SMILES:CC1(O)C(C)C(C2c3c(O)cc(C)cc3OC2(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -16.633
InChIKey:NBYQAKMQCXPYCO-UHFFFAOYSA-N
ID: 77397
SMILES:C(CCC)Cc1cc(O)c(C2C=C(COC(=O)C)CCC2=C(C)C)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: Not available
InChIKey:HPHLHHRXDAFDIB-UHFFFAOYSA-N
ID: 77398
SMILES:C1C2C(CC(C)=C1)C(C(CCCC(C)C)O)(C)Oc1ccc(O)cc12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.711
InChIKey:VUMKDDYZFXUTCQ-UHFFFAOYSA-N
ID: 77399
SMILES:Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 77400
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 77401
SMILES:C(CCC)Cc1cc(O)c2c(c1)C1CC(O)(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -15.816
InChIKey:SRNLZHDHFBPBBL-UHFFFAOYSA-N
ID: 77402
SMILES:CC(=C)C1CCC(C)=CC1c1c(O)c(C(=O)OC)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -17.556
InChIKey:GSBCCWIIKCFQKI-UHFFFAOYSA-N
ID: 77403
SMILES:c1(O)c(C(C)C)c(C2C(C(=C)C)CCC(C)=C2)c(O)c(CC=C(C)C)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -12.286
InChIKey:YJHKZABWYFYTOL-UHFFFAOYSA-N
ID: 77404
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C(C(=C)C)C=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 280.455
CB1 binding score: -18.191
InChIKey:BWMBJKMFWASZPD-UHFFFAOYSA-N
ID: 77405
SMILES:OC(C)(CCC=C(C)CCC1=C(C)CCCC1(C)C)CC1c2c(c(C)cc(O)c2)Oc2c(cccc2[N])O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 517.71
CB1 binding score: -12.827
InChIKey:CULZWIPVXSZVEC-UHFFFAOYSA-N
ID: 77406
SMILES:c1(CCCCC)cc2c(c(O)c1O)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.996
InChIKey:XXGMIHXASFDFSM-UHFFFAOYSA-N