ID: 71359
SMILES:c1cc(CCCc2cc3c(c(O)c2)C2C(C(C)(C)O3)CCc3ccccc32)c(OS(=O)(=O)O)c(C#C)c1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 534.63
CB1 binding score: -15.07
InChIKey:NCECGDPLWCDMTA-UHFFFAOYSA-N
ID: 71360
SMILES:C1c2c(ccc(CCCC)c2)C(C(C)=C)CC1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.406
CB1 binding score: -15.374
InChIKey:SPVLMBLKSJDPGT-UHFFFAOYSA-N
ID: 71361
SMILES:CC12C(O)CCC3OC(c4c(O)cc(CCCCC)cc4-c4c(O)cc(CCC(OC)OCC)cc4OC3)(C1CC(O)C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 626.831
CB1 binding score: -13.755
InChIKey:SBBWUOSXNAGKEV-UHFFFAOYSA-N
ID: 71362
SMILES:CC1(C)Oc2cc(CCc3ccccc3)cc(O)c2C2C(C(C)(O)CCC2C(C)(O)C)C1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.607
CB1 binding score: -11.938
InChIKey:KBKYSUFQYJUFPJ-UHFFFAOYSA-N
ID: 71363
SMILES:C1=C(OC(C)=O)C(=O)C(C(=C)C)CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -9.464
InChIKey:OLVVPAWBWLKKGI-UHFFFAOYSA-N
ID: 71364
SMILES:Cc1cc(O)c2c(c1)OC1(C)CC=C(C(C)C)CC1(O)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -13.474
InChIKey:ISULYGPDAKSCDJ-UHFFFAOYSA-N
ID: 71365
SMILES:C(CCCc1cc(O)c2c(c1)OC(C(O)(C)C)C2)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -14.88
InChIKey:WJBYSMBSJZNVHR-UHFFFAOYSA-N
ID: 71366
SMILES:c1(OC)c2c(cc(C)c1)OC(CCCC(C)C)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -16.907
InChIKey:KOFMVNIOBOMIMF-UHFFFAOYSA-N
ID: 71367
SMILES:C1(=O)C(C)=C2C(O)(C3C(C(C)(C)Oc4cc(CCc5ccc(O)cc5)cc(C#CC(C)=C)c3C2)CC4C)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 512.646
CB1 binding score: -14.312
InChIKey:WAFJMYBDNMWJPS-UHFFFAOYSA-N
ID: 71368
SMILES:CC(C)=CCc1c(O)c(C(C=C(C)C)=O)c(O)c2c1OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.554
CB1 binding score: Not available
InChIKey:ASXSDSXIJUOUQL-UHFFFAOYSA-N
ID: 71369
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C(C)(O)CCC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -18.762
InChIKey:ICMJYQRNULRNTK-UHFFFAOYSA-N
ID: 71370
SMILES:c1(O)c2c(O)cc(CCCCC)cc2c2c(c1)OC(C)(C)C1C2C=C(CO)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.527
CB1 binding score: -15.872
InChIKey:XSUDFSTYNVQHRA-UHFFFAOYSA-N
ID: 71371
SMILES:CC12Oc3c(c(O)cc(CCCCC)c3)C(O)(C(O)C1OC(C1CCC(C(C)C)C=C1)=O)CC2=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 486.605
CB1 binding score: -17.123
InChIKey:QUOMBIVUMJULQU-UHFFFAOYSA-N
ID: 71372
SMILES:CC1CCC2C(C)(CCC=C(C)C)C1c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.577
CB1 binding score: -13.031
InChIKey:PQSDDTPYHLIVEX-UHFFFAOYSA-N
ID: 71373
SMILES:c1(C)c2c(ccc1)C1(c3c(cc(CCCCC)cc3OC(=O)C)O1)OC(C=C(C)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 420.549
CB1 binding score: -12.687
InChIKey:YAUYFBCFJMQROX-UHFFFAOYSA-N
ID: 71374
SMILES:CC(C)=CCc1nc(C2C=C(C)CCC2C(=C)C)c(O)c(C(CC(C)C)=O)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 397.559
CB1 binding score: -12.993
InChIKey:NJVMIEVVZZUBNX-UHFFFAOYSA-N
ID: 71375
SMILES:C1(O)C2C(C)COC1c1c(O)cc(CCCCC)cc1O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -13.068
InChIKey:NJJUOQOJCKHPRM-UHFFFAOYSA-N
ID: 71376
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 71377
SMILES:C(CCc1cc2c(c(O)c1)C1CC(C)CCC1C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -19.792
InChIKey:UGRLMQVLYLFVDE-UHFFFAOYSA-N
ID: 71378
SMILES:CC1(C(=O)O)CCC2(C)C(Cc3c(O)cc(CCCC)cc3O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -16.557
InChIKey:OXMFCRVBSPZIRL-UHFFFAOYSA-N
ID: 71379
SMILES:C1(=O)C(=Cc2ccc(O)cc2)C2CC(C(C)=C)C(c3c(O)cc(CCCCC)cc32)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.599
CB1 binding score: -14.368
InChIKey:STLVPUYEEHRQPN-UHFFFAOYSA-N