ID: 72955
SMILES:C1(C)=CCC2Oc3cc(CCCCC)c(O)c(C)c3CC2C1(C)CCC(C(C)(C)O)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.629
CB1 binding score: -15.96
InChIKey:XOXRJQJBRCOMNY-UHFFFAOYSA-N
ID: 72956
SMILES:C1(CC2(C(O)=O)CC2)C(C)(C)Oc2cc(C)c3c(c21)C=CC(C)(CCC=C(C)C)O3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 410.554
CB1 binding score: -17.787
InChIKey:IYNPBUVVCYYAOB-UHFFFAOYSA-N
ID: 72957
SMILES:CCCCCc1cc(O)c2c(c1O)C1C(C(=C)C)CCC1(C)C(O)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -15.552
InChIKey:ZQMXROZUIKXPCF-UHFFFAOYSA-N
ID: 72958
SMILES:c12c(c3c(cc1C)OC(C)(C)C1C3c3c(c(CCC(=O)C=C(C)C)c(C)cc1)O3)OC(C(C)(C)O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 490.64
CB1 binding score: -13.713
InChIKey:NMUSGHDLGCIJMZ-UHFFFAOYSA-N
ID: 72959
SMILES:C1(C)(C)Oc2c(c(OC)cc(C(O)C(O)C)c2O)C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.439
CB1 binding score: -12.485
InChIKey:MLIKKMJZJPGREX-UHFFFAOYSA-N
ID: 72960
SMILES:C(CCCCCOC(=O)CCCCCCC)Cc1cc2c(c(OC)c1)OC(C)(C)c1c-2cc(C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 510.715
CB1 binding score: -17.359
InChIKey:AXVFDRYYASAION-UHFFFAOYSA-N
ID: 72961
SMILES:C12(C)CC(C)C3(O)CCC(C)(O)C3C1c1c(O)cc(CCCCCC)cc1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -14.041
InChIKey:IPLUKKBFMPJATG-UHFFFAOYSA-N
ID: 72962
SMILES:CC1C(c2c(O)cc(CCCCC)cc2)OC(C)(C)C1C=CC(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.539
CB1 binding score: -14.557
InChIKey:AAKWNOXTOTXRAK-UHFFFAOYSA-N
ID: 72963
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -19.034
InChIKey:SKFPSWUXWVYQEV-UHFFFAOYSA-N
ID: 72964
SMILES:CC(C)=C1CCC(C)(Oc2cc(CCCCC)cc(OC)c2)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -15.374
InChIKey:JSLLGYVNWDCBDT-UHFFFAOYSA-N
ID: 72965
SMILES:O1c2cc(CCCCC)cc(O)c2C2C3C(C)(O3)CCC(O)C3(C)CCC(C1C)C23
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -15.267
InChIKey:SDJGQPXQTARHRF-UHFFFAOYSA-N
ID: 72966
SMILES:c1c(O)c2c(c(C=O)c1O)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.343
CB1 binding score: -17.477
InChIKey:UPGWUSFKMVYPKA-UHFFFAOYSA-N
ID: 72967
SMILES:C1(C)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 72968
SMILES:C(CCC)c1cc2c(c(O)c1C(O)=O)C1C(C(C)(C)O2)CC2C(C)(CCCC2(C)C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.585
CB1 binding score: Not available
InChIKey:XCBAAPMAZFULOH-UHFFFAOYSA-N
ID: 72969
SMILES:C(=CC1C(C)(O)CCC1C(C)C)c1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: -11.401
InChIKey:PPBWSQDDFDQYDL-UHFFFAOYSA-N
ID: 72970
SMILES:c1(CCCCC)cc(O)c2c(c1O)OC(C)(C)C1C2C=C(C)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -16.847
InChIKey:DJEZREKAPRDKCE-UHFFFAOYSA-N
ID: 72971
SMILES:C(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 72972
SMILES:Oc1c(C(CC=CCC)=O)cc(O)c2c1OC(C)(C)C1CC=C(C)C(O)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -14.437
InChIKey:YSRKAZZGJJYRJO-UHFFFAOYSA-N
ID: 72973
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(CCc4ccccc4)c(O)c(C=O)c3C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.496
CB1 binding score: -16.109
InChIKey:XBUPXROUVOUTFS-UHFFFAOYSA-N
ID: 72974
SMILES:CC(=CCCC(C)(O)c1cc(CCCCC)cc(O)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.447
CB1 binding score: -14.925
InChIKey:FYVTYGQZJQHDJV-UHFFFAOYSA-N
ID: 72975
SMILES:CC1(C=CC2=C(C)C(OC)CCC2(C)C)Oc2c(c(O)cc(CCCCC)c2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.614
CB1 binding score: -14.407
InChIKey:UQEFNHJJCVSWOD-UHFFFAOYSA-N