ID: 81019
SMILES:c12c(CCCCC)cc(O)c(C(CC(C)C)=O)c1OC(C(C)(O)C)CCC1(C)C(CCC(C)=CC1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 516.719
CB1 binding score: -13.46
InChIKey:OLGYPLZMZFEFNZ-UHFFFAOYSA-N
ID: 81020
SMILES:C1(C(O)(C)C)CCC(O)(C)C2Oc3c(c(OC)cc(CCCCC)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -17.052
InChIKey:PAUOSJLOPITKHM-UHFFFAOYSA-N
ID: 81021
SMILES:C(C=C(C)CCC=C(C)C)c1cc(C(=O)O)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -19.381
InChIKey:ZGUWKQMGZPIDQH-UHFFFAOYSA-N
ID: 81022
SMILES:C(c1cc(C)ccc1C1=CC(CCC)Oc2cc(CCCCC)ccc12)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.584
CB1 binding score: -14.934
InChIKey:PJOHMIAZRUEDFP-UHFFFAOYSA-N
ID: 81023
SMILES:c1(CCCCC)c(C2CC(CCC=C(C)C)=CCC2)ccc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.524
CB1 binding score: -15.848
InChIKey:HBWNKTWIKGLWPK-UHFFFAOYSA-N
ID: 81024
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.821
InChIKey:CUWJKLPAOPPJHN-UHFFFAOYSA-N
ID: 81025
SMILES:O=C(OCc1cc(O)c(C2C=C(C)CCC2C(C)C)c(O)c1C=O)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.515
CB1 binding score: -17.259
InChIKey:KTYZVKCHQOFBHQ-UHFFFAOYSA-N
ID: 81026
SMILES:O=C(CC1C(C)Oc2c3c(cc(CCC)c2)OC(C)(C)C2CCC(C)C1C23)O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -16.136
InChIKey:FJYIQDHVXXDBCQ-UHFFFAOYSA-N
ID: 81027
SMILES:c1(O)cc(CCCCC)cc2c1-c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.544
CB1 binding score: -17.512
InChIKey:MHSYVZRTKSNMPN-UHFFFAOYSA-N
ID: 81028
SMILES:c1c(CCCCC)cc2c(c1O)C1C(C(=C)C)CCC(C)(O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.198
InChIKey:NUXUDGMVYZUFNQ-UHFFFAOYSA-N
ID: 81029
SMILES:c1([O-])cc(CCCCC)cc2c1C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 313.461
CB1 binding score: -14.041
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-M
ID: 81030
SMILES:C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C1CCC(=C)C2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.502
InChIKey:HDNJNVPZXVJOMB-UHFFFAOYSA-N
ID: 81031
SMILES:C1CC2C3(C)CCC(C(O)(C)C)C(CC(C(=O)O)C)OC(C)(C)C3C1c1c(cc(C)cc1O)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 474.638
CB1 binding score: -15.015
InChIKey:ZIWIEWKCNGSJMK-UHFFFAOYSA-N
ID: 81032
SMILES:O(c1cc(C)c(C2C=C(C)CCC2C(C)=C)cc1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 256.389
CB1 binding score: -16.719
InChIKey:NSFUTTBAEVJOGX-UHFFFAOYSA-N
ID: 81033
SMILES:CC1=CC(c2c(O)cc(CCC)cc2)C(C(O)(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -17.838
InChIKey:NMMZPZFRMUCCQT-UHFFFAOYSA-N
ID: 81034
SMILES:c12c(cc(CCCCC)cc1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.189
InChIKey:AIOSXAOKGBOYPS-UHFFFAOYSA-N
ID: 81035
SMILES:c12c(c(O)cc(CCCCC)c1)C1C=C(C(=O)O1)CCC=C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -16.066
InChIKey:QGVJIEUEABQCQB-UHFFFAOYSA-N
ID: 81036
SMILES:C1C(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 81037
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(CO)=CC21)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -17.209
InChIKey:VPDBCGRUZCACNK-UHFFFAOYSA-N
ID: 81038
SMILES:O1C2(C)C=C3C=CC(C(OC(=O)C)C(C)C)(C)C3CC1c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.607
CB1 binding score: -14.783
InChIKey:ATJMQWWBZJNQSO-UHFFFAOYSA-N
ID: 81039
SMILES:C(CCCCc1cc2c(c(O)c1)C1C(C(C)=C)CCC(C)(O2)C1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -15.108
InChIKey:LSQBOJHYCBWBEB-UHFFFAOYSA-N