ID: 42148
SMILES:C1(C(O)=O)=CC2C(CC1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N
ID: 42149
SMILES:O(CCOCC)c1c(C(OCCCCC)=O)c(CCCCC)cc2c1-c1c(cc(C)cc1O)OC2(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 512.687
CB1 binding score: -11.984
InChIKey:LYHAALLLABQSPZ-UHFFFAOYSA-N
ID: 42150
SMILES:C(CC)Cc1c(C2C=C(C)CCC2C(C)=C)cccc1CCCC[N+](C)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.656
CB1 binding score: -16.166
InChIKey:GFRBYCPSOBONCP-UHFFFAOYSA-N
ID: 42151
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1C2CC(O)(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -18.404
InChIKey:IBSBWOIOMTZHJY-UHFFFAOYSA-N
ID: 42152
SMILES:C(C)(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC(C)=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -17.728
InChIKey:KHLGJPCISFQMLG-UHFFFAOYSA-N
ID: 42153
SMILES:C1=CC(C)(C)Oc2cc(O)cc(CCCCC)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -17.388
InChIKey:MSBZVKLTPVIGLC-UHFFFAOYSA-N
ID: 42154
SMILES:C1C2(C3(C)C(C)(C)CCC2)C(c2c(cc(CCCCC)cc2O)O3)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.481
InChIKey:NWOCWUKVEXSPGS-UHFFFAOYSA-N
ID: 42155
SMILES:C(Cc1c(O)cc(CCCCC)cc1O)=C(C#CC=C(C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -16.546
InChIKey:YCELLFDLZMVNRE-UHFFFAOYSA-N
ID: 42156
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1CC=C(CO)C(O)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -18.401
InChIKey:IQFBDTWPFXQKNC-UHFFFAOYSA-N
ID: 42157
SMILES:C(C)CCC=Cc1cc2c(c(O)c1)C1CC(=C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -19.043
InChIKey:YHQKFZYZJHBOAB-UHFFFAOYSA-N
ID: 42158
SMILES:CC(C1=CCC(C)=CC1c1c(O)cc(CCCCCO)cc1OC)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -11.782
InChIKey:MQDDPNJMUCDOQP-UHFFFAOYSA-N
ID: 42159
SMILES:C(C=C(C)C)CC(=CCc1c(O)cc(CCCCC)c(C(=O)O)c1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -19.234
InChIKey:SEEZIOZEUUMJME-UHFFFAOYSA-N
ID: 42160
SMILES:C(O)C1=CC2C(CC1)C(C)(C)Oc1c2c(O)ccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -16.909
InChIKey:LYSUWBVUIHOBOT-UHFFFAOYSA-N
ID: 42161
SMILES:CC1=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 42162
SMILES:C1=C(CO)C2(C)CCCC2(C(O)=O)C1Cc1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -14.993
InChIKey:WDFFLNPQHAGJCI-UHFFFAOYSA-N
ID: 42163
SMILES:CC1(C)C2(C(C(=CC(C)CC)C)O)OC(CC(=CCc3c(OC)c(C)cc(O)c3)C=C(C)CC2)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 484.677
CB1 binding score: -17.7
InChIKey:RXGFNJFKUKGLPH-UHFFFAOYSA-N
ID: 42164
SMILES:c12c(c(O)c(C(C(CC)C)=O)c(O)c1)C1C(CC(O)C(C)(C)O1)C(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.465
CB1 binding score: Not available
InChIKey:MHLJHFGYMUGQIB-UHFFFAOYSA-N
ID: 42165
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 42166
SMILES:c1(O)cc(CCCC)cc2c1OC(C)(C)C1CCC(C)C=C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -13.832
InChIKey:VEKAZZDVFIMNRV-UHFFFAOYSA-N
ID: 42167
SMILES:C1C=C(CO)CCC12c1cc(OC)cc(CCCCC)c1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -12.441
InChIKey:LHINRZARELGMFZ-UHFFFAOYSA-N
ID: 42168
SMILES:C(OC(=O)C(C)C)(C1CC=C(C)CC2C(C(C)(C)Oc3c(c(O)cc(CCCC)c3)C2)CC1)CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 526.802
CB1 binding score: -15.088
InChIKey:CUKYDKHMFQTMSX-UHFFFAOYSA-N