ID: 72598
SMILES:CCCCCc1cc(O)c(CC2C3(C)C(OC(=O)C)CC4OC(C)(C)C(=O)CCC4(C)C3CC=C2C)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 540.741
CB1 binding score: -15.916
InChIKey:BUGOMERMGJDDRZ-UHFFFAOYSA-N
ID: 72599
SMILES:C(CCC(C)=CCCC1(C)Oc2cc(CCCCC)cc(O)c2C=C1)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -19.944
InChIKey:PXPDKUHGJIMKBA-UHFFFAOYSA-N
ID: 72600
SMILES:C1(C)C2=C(c3c(O)c(C(=O)O)c(CCC)cc3O)OC(C)(C)C3C2C=C(C(=O)OC)C3CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.535
CB1 binding score: -15.311
InChIKey:VUODXYAQDUFACI-UHFFFAOYSA-N
ID: 72601
SMILES:C=C1C=CC2C(C)(C)Oc3c(c(O)cc(CCC)c3)C2C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -16.813
InChIKey:AYHJUEVVRXZSSK-UHFFFAOYSA-N
ID: 72602
SMILES:c1c2c(cc(CCCCC)c1)OC(C)(C)C1CC(O)C(CO)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.634
InChIKey:UZHVGGIWORYSDC-UHFFFAOYSA-N
ID: 72603
SMILES:C1c2c(O)c(C(=O)O)c(CCCCC)cc2OC(C)(CCC=C(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -17.201
InChIKey:WRDOPLLDCBRWNW-UHFFFAOYSA-N
ID: 72604
SMILES:C(CCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21)CCCCC=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -15.068
InChIKey:CTMVVBMNPOAQGE-UHFFFAOYSA-N
ID: 72605
SMILES:CCCCCc1cc2c(c(O)c1)C(=O)C1(O2)C(=O)CC(C)C(C(C)=C)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -16.813
InChIKey:KWXFVIJCOJDFNZ-UHFFFAOYSA-N
ID: 72606
SMILES:c1(O)ccc(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -20.171
InChIKey:HFDMGJLGHZDMNB-UHFFFAOYSA-N
ID: 72607
SMILES:O=CC12c3c(O)cc(CCCCC)cc3OC(C)(C)C1CCC(C)=CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -16.997
InChIKey:TYMCAZXJLONQSU-UHFFFAOYSA-N
ID: 72608
SMILES:C1(c2c(O)cc(CCCCC)cc2)OC(C(=CCC=C(C)C)C)CC(C)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -15.622
InChIKey:JNNNTUULEGHBNN-UHFFFAOYSA-N
ID: 72609
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 72610
SMILES:C1=C(C)CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 72611
SMILES:CC1(C)C(c2c(O)ccc(CCCCC)c2)CC(=C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.459
CB1 binding score: -14.041
InChIKey:XAGYVMVKDNGWSW-UHFFFAOYSA-N
ID: 72612
SMILES:C1(O)CC2C(C)(C)C(OC(=O)C)C3(C)C2(O)c2c(cc(CCCCC)cc2O3)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.569
CB1 binding score: -15.22
InChIKey:LPWQAVPVKUYHOU-UHFFFAOYSA-N
ID: 72613
SMILES:C=C=C1C2C(c3c(O)cc(CCCCC)cc3OC2(C)C)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.518
CB1 binding score: -12.239
InChIKey:ZIRFVIBLKVCLDH-UHFFFAOYSA-N
ID: 72614
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2CC3=C(C(OC)OC(=O)C2)C3(C)CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.596
CB1 binding score: -13.166
InChIKey:BEBWCYCPEDOWLU-UHFFFAOYSA-N
ID: 72615
SMILES:C(O)C(C)=CCCC(=CCc1c(OC)cc(CCCCC)c(C(=O)O)c1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.52
CB1 binding score: -16.608
InChIKey:VWZINUNODBVVHI-UHFFFAOYSA-N
ID: 72616
SMILES:CC(CO)=CCc1c(O)cc(CCCCC)c(C(=O)OC(C)=C)c1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.439
CB1 binding score: -15.275
InChIKey:UBHAYBHYLQIFDE-UHFFFAOYSA-N
ID: 72617
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(CCC1=C(C)CC(C)(C)CCC1)(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.631
CB1 binding score: -15.091
InChIKey:CYGMJMZTOIVPIP-UHFFFAOYSA-N
ID: 72618
SMILES:C1(C)(C)C2CCC(C(O)=O)=CC2c2c(cc(CCCC)c(C(OC)=O)c2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.46
CB1 binding score: -12.557
InChIKey:UWMVDKHIDJKQRT-UHFFFAOYSA-N