ID: 140008
SMILES:C(C)(=C)C1C(c2cc(C(=O)O)cc(CCCCC)c2)C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -15.358
InChIKey:ATGMOYNOSCRTSJ-UHFFFAOYSA-N
ID: 140009
SMILES:C1C(C)CC(C2=C(C)C(=O)OC2OC)(c2c(O)cc(CCCCC)cc2O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -15.929
InChIKey:SGXPHOBLNOZBCJ-UHFFFAOYSA-N
ID: 140010
SMILES:CC12Oc3cc(OC)ccc3CC1C(C)(CCCC(C)C)OC2=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -13.663
InChIKey:WDFSHYFZZNHUTH-UHFFFAOYSA-N
ID: 140011
SMILES:C(c1c2c(ccc1O)OC1(C)CCCC(C)(C)C1C2)CCCC=CCCCCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.685
CB1 binding score: -13.279
InChIKey:HVFRKZVTRCMHHH-UHFFFAOYSA-N
ID: 140012
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1=C2C(O)C(C)CC1)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.21
InChIKey:QATRADYGJXWTPV-UHFFFAOYSA-N
ID: 140013
SMILES:CCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(O)C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -17.837
InChIKey:ZXCUWJPXHYUBEW-UHFFFAOYSA-N
ID: 140014
SMILES:CC1(C)C2CCC(C)=CC2c2c(cc(O)cc2C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.409
InChIKey:BJMZVRMKKMPCLN-UHFFFAOYSA-N
ID: 140015
SMILES:O1c2cc(C)cc(O)c2C2C(C1(C)C)CCC(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -18.804
InChIKey:NJEVKSYKELTXNY-UHFFFAOYSA-N
ID: 140016
SMILES:O(C)c1c(C2C(C(C)C)CCC(C)=C2)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -21.398
InChIKey:WPVARKYNWHKQMW-UHFFFAOYSA-N
ID: 140017
SMILES:C(c1cc2c(cc1)OC(C)(C)c1c-2cc(C)cc1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 252.357
CB1 binding score: -16.052
InChIKey:XNKFFLQRGCVCRD-UHFFFAOYSA-N
ID: 140018
SMILES:c12c(C3C(C(C)=C)CCC(C)=C3)c(O)cc(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.556
CB1 binding score: -14.976
InChIKey:MSWRORDKJGJXGO-UHFFFAOYSA-N
ID: 140019
SMILES:O1c2cc(-c3c(O)c(C)c4c5c(c(O)c4C#C3)CC(CO)(C)C5)cc(O)c2C2C=C(C)CCC2C(C)(C)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 514.618
CB1 binding score: -15.306
InChIKey:XGWMXIVPQZBCNC-UHFFFAOYSA-N
ID: 140020
SMILES:C1=C(C)CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 140021
SMILES:O1c2cc(CCCCC)cc(OC)c2C2C3C1C1(C)CCC(Br)C1(C)CC2OC3=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 477.439
CB1 binding score: -17.919
InChIKey:KTLMSSSXBIEZEG-UHFFFAOYSA-N
ID: 140022
SMILES:CC1(C)Oc2cc(C)c(O)cc2C2C=C(C(=O)O)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 288.343
CB1 binding score: -17.196
InChIKey:JQKMXCOKTFPPAA-UHFFFAOYSA-N
ID: 140023
SMILES:C1(C)CCC2C(C)=CC3(C(C)(C)Oc4cc(C)cc(O)c41)CCC23
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -12.486
InChIKey:CDRRIYCTAOHKDL-UHFFFAOYSA-N
ID: 140024
SMILES:Oc1c(C2CC(C)=CC(c3c(O)ccc(CCCCC)c3)C2C(C)=C)ccc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 460.702
CB1 binding score: -13.982
InChIKey:MNXFNXANIONCCE-UHFFFAOYSA-N
ID: 140025
SMILES:C(C=Cc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -17.881
InChIKey:JDHGICMWRLFPTC-UHFFFAOYSA-N
ID: 140026
SMILES:C(C12CC=C(C)CC1c1c(O)cc(C(C)C(=CC)C)c(O)c1O2)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -13.792
InChIKey:OXNDNRVBETYCGG-UHFFFAOYSA-N
ID: 140027
SMILES:C(C(C1(C)C2CCC3(C)Oc4cc(C)cc(O)c4C=C3C2CCC1C)C)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -12.678
InChIKey:KEUZZHVZWBPRON-UHFFFAOYSA-N
ID: 140028
SMILES:C(CCCc1cc2c(c(O)c1)C(=O)C1C(CCCC1(OC(=O)C)C)(C)O2)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -14.605
InChIKey:RTUXXJAFDUAITI-UHFFFAOYSA-N