ID: 46768
SMILES:O=C(CCC)COc1c(OC(=O)C)c2c(c(CCCCC)c1)OC(C)(C)C1C2CC(C)(O)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 490.637
CB1 binding score: -15.929
InChIKey:CIZJKGHJCXJKGG-UHFFFAOYSA-N
ID: 46769
SMILES:c1(CCCC)cc2c(cc1)OC(C)(C)C1CC=C(C=O)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -14.477
InChIKey:OWXHLZPLYZRNPR-UHFFFAOYSA-N
ID: 46770
SMILES:c1(OC)c2c(c(Cl)c(OCC=C(C)CC(C=C(C)C)OC)c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 475.069
CB1 binding score: -12.368
InChIKey:PZPUNXCCEZOWKK-UHFFFAOYSA-N
ID: 46771
SMILES:C1(C)CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 46772
SMILES:Oc1cc(CCCCC)ccc1-c1cc(CC=C)cc2c1OC(C)(C)C1C2C=C(CO)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.631
CB1 binding score: -13.633
InChIKey:UZQOKTAMKBPNFP-UHFFFAOYSA-N
ID: 46773
SMILES:CC(C)(CCCC(c1c2c(c(C(C(CC)C)=O)c(O)c1)OC1(C)CCC(C(=C)C)CC1C(C)(C)O2)C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 514.747
CB1 binding score: -12.805
InChIKey:LIILAWVGXYFIOX-UHFFFAOYSA-N
ID: 46774
SMILES:O=C(C)Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC1=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.517
CB1 binding score: Not available
InChIKey:GZTSBYJNUFOSEC-UHFFFAOYSA-N
ID: 46775
SMILES:NC(NC(c1ccccc1)C(NC(c1c(CO)cc2c(c1)OC(C)(C)C1CC=C(C)CC21)=O)=O)CCCCC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 533.713
CB1 binding score: -15.957
InChIKey:NHLQSXFHZXVAPC-UHFFFAOYSA-N
ID: 46776
SMILES:C(C1CCC(C)=CC1c1c(O)cc(CCC)cc1O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -20.128
InChIKey:YOJPFISTURZHJT-UHFFFAOYSA-N
ID: 46777
SMILES:CC1=CCC(C(O)(C)C)C1c1c(O)cc(CCCCC)c(C(Cc2ccc(CC=C)cc2)CC=C(C)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 514.794
CB1 binding score: -15.62
InChIKey:ZLQDVZHXQQJUSU-UHFFFAOYSA-N
ID: 46778
SMILES:CC(CCC=C(CCC=C(C)C)C)=CCc1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 384.604
CB1 binding score: -20.123
InChIKey:WYEFRBILENQYOH-UHFFFAOYSA-N
ID: 46779
SMILES:C1(C)(C)Cc2c(CC(O)C)cc(O)cc2O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 222.284
CB1 binding score: -15.868
InChIKey:VYSXVWPZXOYFTN-UHFFFAOYSA-N
ID: 46780
SMILES:C12C(OC(=O)C)C(C)=CCC1C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -19.32
InChIKey:BWTYFOKXWNMLBZ-UHFFFAOYSA-N
ID: 46781
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C=C(C(OC)=O)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.943
InChIKey:CCMWHLPOQSRJEP-UHFFFAOYSA-N
ID: 46782
SMILES:C(CC)Cc1ccc(O)c(CC=C(C)CCC=C(C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -18.107
InChIKey:MIXCUUCNJULULK-UHFFFAOYSA-N
ID: 46783
SMILES:c1(CCCCC)ccc2c(c1)OC(O)C(C)=C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 232.323
CB1 binding score: -14.605
InChIKey:AXGUWWGVHMWLBV-UHFFFAOYSA-N
ID: 46784
SMILES:C(CCCC)c1cc(O)cc2c1C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.133
InChIKey:NWNXONBQZMRACD-UHFFFAOYSA-N
ID: 46785
SMILES:C1C(C(=O)OC)=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCCN=C)c3)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 399.531
CB1 binding score: -12.936
InChIKey:XWVYPGPXCREZMU-UHFFFAOYSA-N
ID: 46786
SMILES:C(C=C(C)C)CC(C)C1C2C(C(=O)C)(C3C(C)(Oc4c3c(O)cc(CCCCC)c4)C2)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -15.925
InChIKey:UDCKADLXIVMVBC-UHFFFAOYSA-N
ID: 46787
SMILES:C12C(c3c(cc(CCCCC)cc3O)OC1(C)C)CC(C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.2
InChIKey:LDRMVIHDAUQSIW-UHFFFAOYSA-N
ID: 46788
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(CCC(=O)OC)C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -14.18
InChIKey:PRFOQSNOHUQVSS-UHFFFAOYSA-N