ID: 54748
SMILES:CC1C(CCC2(C)C=Cc3cc(O)c(C)c(C)c3O2)(C)C(C)CC=C1CC(O)C1OC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.651
CB1 binding score: -15.717
InChIKey:LPWJSXBBMKFXCJ-UHFFFAOYSA-N
ID: 54749
SMILES:c12c(c(CC=C(C)C)ccc1)OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 296.454
CB1 binding score: -19.068
InChIKey:VIXBGVSZVGOVNJ-UHFFFAOYSA-N
ID: 54750
SMILES:C(C)CCCCCCCCOc1cc(OC)c2c(c1Cl)OC1(C2)C2CCC(C)=CC2(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 475.113
CB1 binding score: -15.023
InChIKey:BXXBEQRVJBQREE-UHFFFAOYSA-N
ID: 54751
SMILES:O=C(C1=Cc2c(cc(CCCCC)cc2O)OC1(C)CCC=C(C)C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -14.506
InChIKey:DBNCAUQWQRMJDI-UHFFFAOYSA-N
ID: 54752
SMILES:CC(CCC=C(C)C)=CCCC(=CCc1c(O)c(C(=O)O)c(CCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 400.559
CB1 binding score: -18.074
InChIKey:XJNWDFKQIJOXOC-UHFFFAOYSA-N
ID: 54753
SMILES:c1(C2C=C(C)CCC2C(C)=C)cccc2c(Br)c(O)c(CC=C(C)C)c(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 441.409
CB1 binding score: -15.576
InChIKey:YJBDQLMNKGDAQF-UHFFFAOYSA-N
ID: 54754
SMILES:C(Cc1cc(O)c2c(c1)OC1(C)CCC3C(C)(C)C3C21)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -15.929
InChIKey:DZHRXGFBLLRBGM-UHFFFAOYSA-N
ID: 54755
SMILES:C1C=C(C)COc2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -13.781
InChIKey:USYUHXPPGIJSTQ-UHFFFAOYSA-N
ID: 54756
SMILES:C1C2C(C(C)(CO)C1O)c1c(cc(C)c(C(O)=O)c1)OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.385
CB1 binding score: -15.349
InChIKey:JDIZDTGREALJKF-UHFFFAOYSA-N
ID: 54757
SMILES:CC(=CCCc1cc2c(c(O)c1)C1C(C(C)C)CCC(C=O)(C=C1C)O2)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.517
CB1 binding score: -14.2
InChIKey:AZEXGWCZKDUJDH-UHFFFAOYSA-N
ID: 54758
SMILES:C(c1cc(O)c2c(c1C(C)=O)OC(C)(C)C1CCC(C(=O)O)=CC12)C(=O)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.389
CB1 binding score: -15.929
InChIKey:OBPLHLOFZAHBKL-UHFFFAOYSA-N
ID: 54759
SMILES:CC1=CCC2C(C(C)(C)Oc3c(O)c(C(=O)C(C)C)cc(C)c32)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -14.645
InChIKey:LDKPRPRZHJBMLR-UHFFFAOYSA-N
ID: 54760
SMILES:C1=C(C)CC(CCC(C)=O)c2c1c(OC)cc(CCCCC)c2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -15.325
InChIKey:HPXIXNJCOOQNBY-UHFFFAOYSA-N
ID: 54761
SMILES:Oc1cc(CCCCC)cc2c1C1C(C(C)(O)CCC1C(C)C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 344.495
CB1 binding score: -18.333
InChIKey:VBDIXNLNHNEWSQ-UHFFFAOYSA-N
ID: 54762
SMILES:C1(c2c(CCCCC)cc(O)cc2O)(C)CCC(=O)C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -15.552
InChIKey:IHMTVJKSFVMALJ-UHFFFAOYSA-N
ID: 54763
SMILES:C1(C)(C)C2CC3c4c(cc(OC)cc4)OC(C)(C)C1C3O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -16.204
InChIKey:YKMWXQIJYZCIFE-UHFFFAOYSA-N
ID: 54764
SMILES:CC1CCC(C(C)=C)CC(C=O)C1CC1(CC)Sc2c(CCCCC)cccc21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.683
CB1 binding score: -13.26
InChIKey:KPIHKXDYTASWOJ-UHFFFAOYSA-N
ID: 54765
SMILES:C1CCC(C)(C(c2c(O)cc(CCC)cc2O)C)CC=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: Not available
InChIKey:PHJOVSISCROKDR-UHFFFAOYSA-N
ID: 54766
SMILES:C1(=O)C(C)(C)Oc2c(cc(CCCCC)cc2O)C2C=C(C)CCC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -13.851
InChIKey:VHONSMDLWQLFKF-UHFFFAOYSA-N
ID: 54767
SMILES:C1(O)C=C(C)CCC2C1c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -17.401
InChIKey:YTFIYQAKEHZACO-UHFFFAOYSA-N
ID: 54768
SMILES:C1=C(C)CC2C(O)(C(C)(C)Oc3cc(CCCCC)cc(OC)c32)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.078
InChIKey:YXOQJUCNMJBKGE-UHFFFAOYSA-N