ID: 99814
SMILES:CCCCCCc1cnc2c(c1)OC(C)(C)C1C2C=C(C(=O)OC)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 357.494
CB1 binding score: -14.917
InChIKey:UVKPRTBNGNDNBJ-UHFFFAOYSA-N
ID: 99815
SMILES:C(CCCC)c1cc(O)c(C2C=C(C)CCC2C(C)=C)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.048
InChIKey:FUZJMTMPVZRGQF-UHFFFAOYSA-N
ID: 99816
SMILES:c1(CCCCCC)cc(O)c2c(c1)OC(C)(C)C1C2C(O)C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -16.975
InChIKey:JPUFEDGKPGCPJE-UHFFFAOYSA-N
ID: 99817
SMILES:C1(O)(c2c(O)cc(CCCCC)cc2O)C(C)(C)C2CCC(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -16.502
InChIKey:KXVLZIDHZKTUCS-UHFFFAOYSA-N
ID: 99818
SMILES:CC1=CC(c2c(OC)ccc(CCN(C)C)c2)C(C(C)=C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 313.485
CB1 binding score: -18.294
InChIKey:GJDVDGGMUGCJGX-UHFFFAOYSA-N
ID: 99819
SMILES:Oc1c(C)c2c3c(c4c(cc(CCCCC)c1)O4)OC(C)(C)C1C3C(C23CO3)cc1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.522
CB1 binding score: -11.869
InChIKey:IZRVEIBWBWVAQD-UHFFFAOYSA-N
ID: 99820
SMILES:CCCCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(COC(=O)C(=O)C(C)C)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.568
CB1 binding score: -13.471
InChIKey:VASIDCZZVKQWIC-UHFFFAOYSA-N
ID: 99821
SMILES:COC(=O)CC(OCC1=CC2C(CC1)C(C)(C)Oc1c2ccc(O)c1)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.406
CB1 binding score: -16.207
InChIKey:KCYBOLMNBWPWPX-UHFFFAOYSA-N
ID: 99822
SMILES:c1c(O)c(CCCC)c2c(c1O)OC(C)(C)C1CC=C(C(=O)O)CC12
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.423
CB1 binding score: -11.16
InChIKey:VXYFRSHHYVIZKI-UHFFFAOYSA-N
ID: 99823
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(CO)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 99824
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 99825
SMILES:C(CCCC)Cc1cc2c(c(O)c1)C1C=C(C(OCC)=O)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -14.843
InChIKey:DZXVUNHKBSBJHZ-UHFFFAOYSA-N
ID: 99826
SMILES:C1=CC2(C)Oc3c4c(cc(CCCCC)c3)OC(C)(CCC=C(C)C)C3C(O)(CC1(C)O)C23C(C)C4
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 494.716
CB1 binding score: -16.812
InChIKey:RKWHRXCRXPVGHV-UHFFFAOYSA-N
ID: 99827
SMILES:C(C1CCC(C)=CC1c1c(O)cccc1)(C)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 228.335
CB1 binding score: -18.767
InChIKey:FFUBTKRHDZNPRU-UHFFFAOYSA-N
ID: 99828
SMILES:C(CC=C(C)C)C1(C)Oc2c(c(C(=O)O)cc(CCCCC)c2)C(O)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -15.372
InChIKey:RTJGPPVITQUKHY-UHFFFAOYSA-N
ID: 99829
SMILES:c1(CCCCCC)cc(OC)c2c(c1O)C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -13.347
InChIKey:LMLGDUQJPKEYFE-UHFFFAOYSA-N
ID: 99830
SMILES:C1(O)C(CO)OC2OCC(C(CCc3c(O)c(C)cc(OC)c3)=O)=CC2C2(C)CCC1C(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 490.593
CB1 binding score: -14.727
InChIKey:TUPCOEOWVAUKDV-UHFFFAOYSA-N
ID: 99831
SMILES:C(CCC)CCc1c(C(=O)O)c(O)c(CC=C(C)CCC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -18.725
InChIKey:DZRJYADBMRYKMJ-UHFFFAOYSA-N
ID: 99832
SMILES:C(CCC(C)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)(C(C)=C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 374.477
CB1 binding score: -16.629
InChIKey:VMEUMFNNKUQCBH-UHFFFAOYSA-N
ID: 99833
SMILES:Oc1c2c(cc(CCCCCO)c1)OC(C)(C)c1c-2cc(C)c2ccc(C)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.523
CB1 binding score: -14.73
InChIKey:GZDBUGNICLLLAQ-UHFFFAOYSA-N
ID: 99834
SMILES:O=C(OC1CC2C(C)(C)Oc3c(c(O)cc(CCCCCC)c3)C2C=C1C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -16.467
InChIKey:VHHKSRYJAZJPIF-UHFFFAOYSA-N