ID: 48910
SMILES:C1CC23COC4C2C(C)(OC14)c1c(cc(CCCCC)cc1O)O3
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -14.586
InChIKey:UNOXSICXTRTYGB-UHFFFAOYSA-N
ID: 48911
SMILES:c1(C)cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -20.957
InChIKey:WIDIPARNVYRVNW-UHFFFAOYSA-N
ID: 48912
SMILES:c1(O)cc(CCCCC)c(C(=O)OC)c(O)c1CC=C(CCC=C(C)CO)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.52
CB1 binding score: -16.813
InChIKey:RCHXGKACOUAMEQ-UHFFFAOYSA-N
ID: 48913
SMILES:CC12CCCC(C)=C1Cc1c(cc(CCC)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -15.434
InChIKey:OPNGVPLZMLZNNU-UHFFFAOYSA-N
ID: 48914
SMILES:C1C2C(C(O)(C)CCC3C2C3(C)C)Oc2c1c(O)cc(CCCCC)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -14.827
InChIKey:ZYTXZJPNUDSSTA-UHFFFAOYSA-N
ID: 48915
SMILES:c1(CCCCC)cc2c(c(O)c1C)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -16.766
InChIKey:GHOACUBFKDYJHZ-UHFFFAOYSA-N
ID: 48916
SMILES:C(CC)CCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(CO)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 48917
SMILES:c1(CCCCC)cc2c(cc1O)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.041
InChIKey:UMOQSYCBNIIJKH-UHFFFAOYSA-N
ID: 48918
SMILES:C1(c2c(O)cc(CCC)cc2)(C)C2C(CC(C)=CCC=C(C)C2)OC1=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: -13.502
InChIKey:FBIHNZMTGGMGBP-UHFFFAOYSA-N
ID: 48919
SMILES:CC1(C)C2C(c3c(cc(CCCCC)cc3OC)OC2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -15.134
InChIKey:HTDCJGMTKMECTN-UHFFFAOYSA-N
ID: 48920
SMILES:c1c(C)cc(O)c2c1OC(C)(C)C1OC2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -14.906
InChIKey:PENOQQCIKRLATP-UHFFFAOYSA-N
ID: 48921
SMILES:c1(O)c(C(CC(C)C)C(=O)O)c(O)c(C=O)c2c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.487
CB1 binding score: -16.438
InChIKey:NUWCJKMNDGSJHT-UHFFFAOYSA-N
ID: 48922
SMILES:O(CCCC)c1c(CCCC)cc2c(c1O)C(=O)C1(O2)C(C)(O)CC(C=C(C)C)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.558
CB1 binding score: -14.55
InChIKey:MSFLFPBPXMDOCW-UHFFFAOYSA-N
ID: 48923
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)(C)O)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -18.046
InChIKey:MXECOWWPQRFPTG-UHFFFAOYSA-N
ID: 48924
SMILES:c1c2c(c(O)cc1CCc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1)C(C)CC(C)=C(O)C2=O
Pathway: Polyketides;Shikimates and Phenylpropanoids;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 490.64
CB1 binding score: -15.334
InChIKey:SKVJYVXHUPGGFR-UHFFFAOYSA-N
ID: 48925
SMILES:C1(O)C(C)CC2C(C1)C(C)(C)Oc1c2c(O)cc(CCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -18.889
InChIKey:UPEBTOVGNPOJQR-UHFFFAOYSA-N
ID: 48926
SMILES:C(CCCCc1c(C(O)=O)cc(CC=C(C)C)c(O)c1)C(C)O
Pathway: Polyketides;Shikimates and Phenylpropanoids;Terpenoids
Superclass: Phenolic acids (C6-C1);Meroterpenoids
Class: Cannabinoids;Simple phenolic acids
MW: 320.429
CB1 binding score: -15.526
InChIKey:GHRBTHHZTUWKSW-UHFFFAOYSA-N
ID: 48927
SMILES:C(C)(C)C1C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 48928
SMILES:O=C(N(CC(O)=O)C(=O)O)CCc1ccc(O)c2c1OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 417.458
CB1 binding score: -18.925
InChIKey:KTELQKRASHPYLO-UHFFFAOYSA-N
ID: 48929
SMILES:C(CC1Oc2c(c(O)cc(CCCCC)c2)-c2c(O)c(C)c(CCC(C)C3C4C(O4)C(O)C(OC(C)=O)C3)c-2c1)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 568.707
CB1 binding score: -13.626
InChIKey:JBEAJMYYFNUHHT-UHFFFAOYSA-N
ID: 48930
SMILES:CC1=CC(c2c(O)cc(CCCCC)cc2)C(C(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -18.957
InChIKey:XFYKOYWZVVGAEV-UHFFFAOYSA-N