ID: 34504
SMILES:O1C2C3C(C(C)(C)Oc4cc(CCCCC)cc(O)c42)CCC(C)C13
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.802
InChIKey:JAKAPXIGVBUIDU-UHFFFAOYSA-N
ID: 34505
SMILES:c1c(CCC=C(C=CC(=O)OO)C(C)=CCC)cc(O)c(C2C(C(C)(C)O)CCC(C)=C2)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.607
CB1 binding score: -15.518
InChIKey:GCCURGRPIBMVEE-UHFFFAOYSA-N
ID: 34506
SMILES:C(C)CCCc1cc2c(c(O)c1)C1C=C(CO)C(O)CC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -16.967
InChIKey:XTDYIISRNODHHT-UHFFFAOYSA-N
ID: 34507
SMILES:C1(Cc2c(O)c(C(=O)CCCCC)cc(O)c2)C(C)(C)C(C(=C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.981
InChIKey:JQMLWLGJEIKZAE-UHFFFAOYSA-N
ID: 34508
SMILES:CC(=CCCC(C12Oc3cc(CCCCC)cc(O)c3C(=O)C1O2)C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.015
InChIKey:IZJCSKUXMDLTRH-UHFFFAOYSA-N
ID: 34509
SMILES:CC1=CCCC2C(=O)c3c(O)cc(CCCCC)cc3OC12C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -17.863
InChIKey:ZLXHQFCKVOWVQC-UHFFFAOYSA-N
ID: 34510
SMILES:C(C=C)Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -18.19
InChIKey:XBLYAPBQCSTJSG-UHFFFAOYSA-N
ID: 34511
SMILES:O(C(=O)C)C(C1=CC2C(CC1)C(C)(C)Oc1c2c(OC)c2c(c1O)C=CC(C)(CCC=C(C)C)O2)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 496.6
CB1 binding score: -13.863
InChIKey:KZLKXOVQWWYIFR-UHFFFAOYSA-N
ID: 34512
SMILES:c12c(cccc1)c(COC(=O)CCCCCCCCCCCCCCCCC)c1c(c2)OC(C)(C)C2C1C=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 574.89
CB1 binding score: -14.942
InChIKey:GDHHBQWVMXUCRY-UHFFFAOYSA-N
ID: 34513
SMILES:CC1=CC2c3c(cc(CCCCC)c(O)c3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.996
InChIKey:XXGMIHXASFDFSM-UHFFFAOYSA-N
ID: 34514
SMILES:CC1(C)Oc2c(c3c(c(CO)c2)OCC3CO)C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -15.262
InChIKey:KTPAVOAEPSOHRZ-UHFFFAOYSA-N
ID: 34515
SMILES:CC(=CCCC(C)C)C(Cc1c2c(ccc1O)OC(C)(C)C1C2C=C(C)CC1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -14.634
InChIKey:QEFRCZGEXDNFEQ-UHFFFAOYSA-N
ID: 34516
SMILES:CC(=CCCC(=CCc1c(-c2ccccc2OC)c2c3c(cc(C)c2O)OC(C)(C)C=C3C1)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.653
CB1 binding score: -18.454
InChIKey:JBZHVEXLHOFKAE-UHFFFAOYSA-N
ID: 34517
SMILES:C1(O)C(O)C(C)(O)C2=C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)C(O)C2C1(C)CCC(O)C2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 518.691
CB1 binding score: -13.933
InChIKey:IDHFHINVRBMFIS-UHFFFAOYSA-N
ID: 34518
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 34519
SMILES:C1(C)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C(O)(O2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -13.311
InChIKey:XDUVPKQGUAAKQQ-UHFFFAOYSA-N
ID: 34520
SMILES:c1(O)cc(CCCCC)cc2c1-c1c(ccc(C)c1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 34521
SMILES:C1(C)CC2C(C(C)(C)Oc3cc(C(CCCCC)=O)c(O)c(O)c32)CC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -16.407
InChIKey:WWFQGBMOISLIIY-UHFFFAOYSA-N
ID: 34522
SMILES:C1=C(C)C2(CC2)C(C)(C)C2C1Oc1c(c(O)c(C(=O)O)c(CCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.516
CB1 binding score: Not available
InChIKey:IHXMXVGSVKWNNY-UHFFFAOYSA-N
ID: 34523
SMILES:C(c1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 34524
SMILES:C12C(C)(C)Oc3cc(C)cc(I)c3C1CCC2C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.247
CB1 binding score: -15.929
InChIKey:HVUOQZCCUDHLKO-UHFFFAOYSA-N