ID: 122074
SMILES:C1(OC(C)=O)C2(C)CC3(c4c(cc(CCCCC)cc4O)OC(C(C)C)(O2)C1)C(=O)C(C)=C(O)C3=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 500.588
CB1 binding score: -15.306
InChIKey:JYKMGKQTARESFB-UHFFFAOYSA-N
ID: 122075
SMILES:c1c(OC)c(COc2c(O)c3c(cc2CCCCC)OC(C)(C)C2CCC(C)=CC23)ccc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.618
CB1 binding score: -15.51
InChIKey:FPYOPXNAOKMILL-UHFFFAOYSA-N
ID: 122076
SMILES:C(C=O)(c1c(C(=O)O)c(O)c2c(c1)OC(C)(C)C1C2CC(C(=O)O)=CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.389
CB1 binding score: -12.206
InChIKey:FEYCIVPKSGIDFU-UHFFFAOYSA-N
ID: 122077
SMILES:C1CC=C(C)CCC2C(C)(C)Oc3ccc(O)cc3C2C=C1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -17.418
InChIKey:SMXZKMWKWSEZRU-UHFFFAOYSA-N
ID: 122078
SMILES:C1(C)(C)Oc2c(c(O)cc(O)c2C(C(C)C)=O)C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -18.957
InChIKey:VIYAGNJWEOQORJ-UHFFFAOYSA-N
ID: 122079
SMILES:c1c(Br)cc2c(c1O)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 323.23
CB1 binding score: -17.803
InChIKey:SXESIOPYJQBHRZ-UHFFFAOYSA-N
ID: 122080
SMILES:C(C)c1c(C(O)=O)cc2c(c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: Not available
InChIKey:XAAKXETYLPQDAN-UHFFFAOYSA-N
ID: 122081
SMILES:C1(c2c(O)c(CC=C(C)CCC=C(C)C)cc(O)c2)C=C(C)CCC1C(=C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.572
CB1 binding score: -16.787
InChIKey:BBNISDOBEQNFRE-UHFFFAOYSA-N
ID: 122082
SMILES:C1(C(C)=C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.302
InChIKey:IPGGELGANIXRSX-UHFFFAOYSA-N
ID: 122083
SMILES:c12c(C(C)C)ccc(C)c1C1C=C(C)CCC1C(C)(O2)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.443
CB1 binding score: -18.046
InChIKey:ARWRFFJFUABHRJ-UHFFFAOYSA-N
ID: 122084
SMILES:O1c2cc(O)cc(CCCCC)c2CC2C(C)(C)CCCC12C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.427
InChIKey:BXFUFHBOQPGXHK-UHFFFAOYSA-N
ID: 122085
SMILES:C1CC2C(C=C1C(CO)C)C(C)(C)Oc1c2c(O)cc(CCC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -10.079
InChIKey:JUYUECNCTRSPPX-UHFFFAOYSA-N
ID: 122086
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C(O)C(C(C)(O)C)OC1(C1C=C(C)CCC1C(C)C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 470.65
CB1 binding score: -13.522
InChIKey:YCLDWCOSMUWVBS-UHFFFAOYSA-N
ID: 122087
SMILES:c1c2c(cc(CCCCC)c1)OC(C)(C)C1C(O)CC(C)=CCCC(=C)C=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.599
CB1 binding score: -12.209
InChIKey:HRDMZKGPWYIQAS-UHFFFAOYSA-N
ID: 122088
SMILES:c1c(C(C)C)c(O)c(O)c2c1OC(C)(C)C1C2CCC1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -15.345
InChIKey:RJXPISXSJFMVPE-UHFFFAOYSA-N
ID: 122089
SMILES:CC1(C)Oc2cc(CCCCC)cc(O)c2C2C=C(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 122090
SMILES:C(CC(C)=CCc1cc(O)c(CC=C(C)C)c(O)c1)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 314.469
CB1 binding score: -18.687
InChIKey:WLQHMAXRUPMVPI-UHFFFAOYSA-N
ID: 122091
SMILES:CC1(C)Oc2cc(CCCCC)cc(O)c2C2C=C(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 122092
SMILES:CCC(CCC1(C)Oc2c(C)cc(OC)cc2C=C1)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -16.625
InChIKey:UDKXKQMNFRXOOW-UHFFFAOYSA-N
ID: 122093
SMILES:c1cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.189
InChIKey:AIOSXAOKGBOYPS-UHFFFAOYSA-N
ID: 122094
SMILES:C1(=C)C2C(CC(C)=CC2)c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -16.015
InChIKey:KOOOVDIKXNSGTA-UHFFFAOYSA-N