ID: 87970
SMILES:CC1=CC2c3c(O)cc(CCCCC)c(Cl)c3OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.914
CB1 binding score: -16.894
InChIKey:MWBFQHOMKSMOHX-UHFFFAOYSA-N
ID: 87971
SMILES:Oc1c(C(O)=O)c(CCCCC)cc(O)c1C1C(C(C)C)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -18.276
InChIKey:NGHGOJRQIYPXBS-UHFFFAOYSA-N
ID: 87972
SMILES:Oc1cc(CCCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -18.766
InChIKey:OKXUDFJPZMVBEH-UHFFFAOYSA-N
ID: 87973
SMILES:O=C1c2c(cc(CCCCC)cc2O)OC(C)(C)C1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.332
CB1 binding score: -18.334
InChIKey:HJLDQSFDBVFHQA-UHFFFAOYSA-N
ID: 87974
SMILES:Oc1c(CCCCC)ccc(C2C(C(C)=C)CCC(C)=C2)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -14.81
InChIKey:QGYAYVXCIOXLNW-UHFFFAOYSA-N
ID: 87975
SMILES:C=C1CCC2C(C1)C(C)(C)Oc1c(C(C(=CC)C)=O)c(O)cc(OC)c12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -15.141
InChIKey:VIUCZTLJGAHURP-UHFFFAOYSA-N
ID: 87976
SMILES:C(CCCCC)CCc1cc2c(cc1OC(C)=O)OC1(C)C3C(CC1)C(C)(C)C(=O)C=C(C)C23
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.662
CB1 binding score: -15.552
InChIKey:LUBZUTUHEXIKJH-UHFFFAOYSA-N
ID: 87977
SMILES:C1=C(C)CCC(C(C)C)C1c1c(S(=O)(O)=O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.55
CB1 binding score: -15.506
InChIKey:NVLHQPIXXSZCCI-UHFFFAOYSA-N
ID: 87978
SMILES:CC1=CC2c3c(O)cc(C)cc3OC(C)(C)C2CC1OCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -16.671
InChIKey:QLMHQPNUGHOWCI-UHFFFAOYSA-N
ID: 87979
SMILES:C1CC2C(C)(C)Oc3c(c(O)cc(CCC)c3)C2C=C1CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -14.986
InChIKey:AEMWFDKGGXUCFD-UHFFFAOYSA-N
ID: 87980
SMILES:C(C(c1cc(O)cc2c1OC(C)(C)C1CCC(CO)=CC12)C)(=O)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.396
CB1 binding score: -16.056
InChIKey:YZCDEVDYOMXCKZ-UHFFFAOYSA-N
ID: 87981
SMILES:CC1=CC2c3c(O)cc(CCCCC)c(C(=O)O)c3C(C(C)C)(CC1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -13.361
InChIKey:ZUUWPXIXCOUKQD-UHFFFAOYSA-N
ID: 87982
SMILES:O(c1cc(CCCCC)ccc1C12CCC(CC1)C2(C)C)C(O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -13.477
InChIKey:OMRIWUOXRFMBBZ-UHFFFAOYSA-N
ID: 87983
SMILES:COc1c(CCCCC)c2c(c3c1OC(C)(C)C=C3)OC(C)(C)C1C2=CC(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -13.965
InChIKey:PQMCMDJEGJNYAS-UHFFFAOYSA-N
ID: 87984
SMILES:CC1=C2C(CC1=O)CC(C(C)=C)C1=c3c(cc(CCCCC)c3)OC(C)(C)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.556
CB1 binding score: -15.741
InChIKey:FHEYTCJNRYCEDH-UHFFFAOYSA-N
ID: 87985
SMILES:Oc1c(CC=C(CCC=C(C)C)C)c(O)cc(CCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.824
InChIKey:YJYIDZLGVYOPGU-UHFFFAOYSA-N
ID: 87986
SMILES:C(C)(OCC1=Cc2c(cc(CCCCC)cc2O)OC1(C)C)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -15.527
InChIKey:VOMAPALLLNHVPR-UHFFFAOYSA-N
ID: 87987
SMILES:C(C)c1cc(O)c(O)c2c1C=CC(C)(CCC=C(C)CCC1C(C)(C)O1)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -14.793
InChIKey:VIZKGCRHSBGVTL-UHFFFAOYSA-N
ID: 87988
SMILES:c1(O)c(C2C(C(C)=C)CCC(C)=C2)cc(O)c(=O)cc1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -14.677
InChIKey:UUNVNHGOABXOBM-UHFFFAOYSA-N
ID: 87989
SMILES:C(C)CCCc1cc2c(cc1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -19.248
InChIKey:ULSCPFQNHAPIEH-UHFFFAOYSA-N
ID: 87990
SMILES:Oc1cc(CCCC)cc2c1C1C(CCC(CO)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -19.932
InChIKey:YRIJETKCLFDWJX-UHFFFAOYSA-N