ID: 117244
SMILES:C1(C)=CCC(C)(C)C2Oc3cc(CCCCC(O)=O)cc(O)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -12.566
InChIKey:QPCVBYFRTCILJE-UHFFFAOYSA-N
ID: 117245
SMILES:c12cc(CCCCC)ccc1OC(C)(C)C(O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -17.303
InChIKey:HIMCXEAFAHUSNM-UHFFFAOYSA-N
ID: 117246
SMILES:C1(C)(C)CCCC2=C1c1c(O)cc(CCCCC)cc1OC2(C)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -12.662
InChIKey:MUMPLUKKTYKLII-UHFFFAOYSA-N
ID: 117247
SMILES:C(CC(C)(O)C)C(Oc1c(C2C(C(C)=C)CCC(C)=C2)c(O)cc(O)c1C(=O)C=C(C)C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.579
CB1 binding score: -14.902
InChIKey:UVNYCOIRPOINNT-UHFFFAOYSA-N
ID: 117248
SMILES:C(CCC)Cc1cc(O)c(C2C=C(C)CCC2C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 117249
SMILES:C(c1c2c(c(CCCCC)cc1)OC(C)(C)C1CC(C)=CCC21)(O)C=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -16.278
InChIKey:BSZXTVSPLHUJQK-UHFFFAOYSA-N
ID: 117250
SMILES:C1=C2C(CC(C)(CO)CC2c2c(O)cc(CCCCC)c(C(OC)=O)c2)C=C2C1C(OCC)OC2OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 514.659
CB1 binding score: -16.278
InChIKey:GRTYUKMSMCROMT-UHFFFAOYSA-N
ID: 117251
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1C1C(CCC2(O)C)C(C)C(=O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.558
CB1 binding score: -15.892
InChIKey:PDBLIRRSHVDAMI-UHFFFAOYSA-N
ID: 117252
SMILES:CC1=CC2c3c(cc(C)cc3O)OC2(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 216.28
CB1 binding score: -15.567
InChIKey:YNBVRHWFQNNKDV-UHFFFAOYSA-N
ID: 117253
SMILES:C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 117254
SMILES:C1(C)=CC(c2c(O)cc(Br)cc2C(=O)CCl)C(C(=C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 383.713
CB1 binding score: -15.369
InChIKey:GKDHSJAPDRNQJR-UHFFFAOYSA-N
ID: 117255
SMILES:c1(C(CC(C)C)=O)cc(O)c(C2C(C(C)(C)O)CCC(C)=C2)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -16.57
InChIKey:LWJFNGKSWHLUJR-UHFFFAOYSA-N
ID: 117256
SMILES:C(Oc1cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -16.351
InChIKey:UMXIOVDHVKECQI-UHFFFAOYSA-N
ID: 117257
SMILES:COc1cc(C)c2c(c1N)C1CC(C)=CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 287.403
CB1 binding score: -16.047
InChIKey:HTQOKQDAHAGXNB-UHFFFAOYSA-N
ID: 117258
SMILES:C(O)C1=CC2C=C(C)CCC2C(C)(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 208.301
CB1 binding score: -15.623
InChIKey:DVZUVMWABCAAPK-UHFFFAOYSA-N
ID: 117259
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1=C2C(O)C(O)(C)C(O)C1)CC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.412
CB1 binding score: -14.254
InChIKey:BYBGNLCWZIWPPU-UHFFFAOYSA-N
ID: 117260
SMILES:C1CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C(C(=C)C)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -16.521
InChIKey:JZQGYXCHEFZANB-UHFFFAOYSA-N
ID: 117261
SMILES:C(O)C1Oc2c(c(O)cc(CCCCC)c2)C2C3(C)C(C(C)(C)CCC3)CCC2(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.629
CB1 binding score: -12.363
InChIKey:PFOPIUXYLFOUMJ-UHFFFAOYSA-N
ID: 117262
SMILES:C1CC2C(C3(C)C1(C)Oc1cc(CCCCC)cc(O)c13)CCCC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.577
CB1 binding score: -13.694
InChIKey:KEKYSISJWTVIQB-UHFFFAOYSA-N
ID: 117263
SMILES:C1CC2(C)Oc3c(c(O)cc(C)c3)C2C=C1C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -17.982
InChIKey:LLJLKFGCUWOEGS-UHFFFAOYSA-N
ID: 117264
SMILES:c1(C2(C)C(C(C)=C)CCC(C)=C2)c(C)c(OC(=O)NC(C)C)c(C)c(O)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 387.52
CB1 binding score: -14.932
InChIKey:GZKLYTRROGHDAO-UHFFFAOYSA-N