ID: 70561
SMILES:C(CCC(C)=CCc1c(O)c(C(O)=O)c(CCCCC)cc1O)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -19.234
InChIKey:SEEZIOZEUUMJME-UHFFFAOYSA-N
ID: 70562
SMILES:C12(O)C3C(CC1)C(C)(C)Oc1cc(CCCCC)cc(c31)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -14.45
InChIKey:JSJHEFYYWDRNSL-UHFFFAOYSA-N
ID: 70563
SMILES:CC(=CCCC1(C)Oc2cc(CCCCC)c(C(=O)O)c(O)c2C=C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.775
InChIKey:HRHJHXJQMNWQTF-UHFFFAOYSA-N
ID: 70564
SMILES:c1(O)cc(O)c2c(c1C(C(CCCCCCCC)C)=O)OC(CCC=C(C)C)(C)C1C2CC(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 514.747
CB1 binding score: -11.774
InChIKey:XZPSECBFMPYDTL-UHFFFAOYSA-N
ID: 70565
SMILES:C1(c2c(O)cc(CCCCC)cc2)C=C(C)CCC1C(C)(CCC=C(C)C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -16.502
InChIKey:WHRVAXMGZNCCRR-UHFFFAOYSA-N
ID: 70566
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -19.804
InChIKey:VGBLUPCGCQUYRW-UHFFFAOYSA-N
ID: 70567
SMILES:c1(O)c(C(=O)C(CC)C)cc(O)c2c1OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.522
InChIKey:JZYHHOMLUOJFRU-UHFFFAOYSA-N
ID: 70568
SMILES:C1=C(C)C(OC(C)=O)CC2C(C1)C(C)(C)Oc1cc(C)c(C(OC)=O)c(O)c12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.46
CB1 binding score: -16.744
InChIKey:KCBBWADXYNXOIW-UHFFFAOYSA-N
ID: 70569
SMILES:C(C)(C1C(=O)C23C(C(C)(C)C1CC2)Oc1c3c(O)cc(CCCCC)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -12.84
InChIKey:KSJFADAUMUMLDP-UHFFFAOYSA-N
ID: 70570
SMILES:C12C(C1)c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -17.624
InChIKey:SFKCWCDDXYSANA-UHFFFAOYSA-N
ID: 70571
SMILES:CC1(C)C2CCC(C)=CC2c2c(O)ccc(c2)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -17.306
InChIKey:ICULJHFIKMPUSB-UHFFFAOYSA-N
ID: 70572
SMILES:c12ccc(CCCCC)cc1oc1c(O)c(C3C(C(C)=C)CCC(C)=C3)c(O)c2c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 420.549
CB1 binding score: -15.506
InChIKey:LMYVUHJBJOSGAN-UHFFFAOYSA-N
ID: 70573
SMILES:O=C(CCC(=CCCC1(C)Oc2c(C)cc(O)cc2C=C1)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -16.502
InChIKey:YWFVEXGPJBYAPH-UHFFFAOYSA-N
ID: 70574
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 70575
SMILES:c1(C)c(OC)cc2c(c1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -16.591
InChIKey:ZINJGWUKZANUSE-UHFFFAOYSA-N
ID: 70576
SMILES:C(CCCCC)CCCc1cc2c(c(O)c1)C1C=C(C)CCC=C(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.589
CB1 binding score: -15.812
InChIKey:QDGQCSOXJDDSLX-UHFFFAOYSA-N
ID: 70577
SMILES:c1(O)c(C2C(C(=C)C)CCC(C)=C2)ccc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -20.171
InChIKey:HFDMGJLGHZDMNB-UHFFFAOYSA-N
ID: 70578
SMILES:C(CC(C)C)(c1cc2c(c(OC)c1)C1C(C(C)(C)O2)CCC(C)=C1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -14.934
InChIKey:IEKYQUHWZOTWSB-UHFFFAOYSA-N
ID: 70579
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C1=CCCC=C1)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -16.151
InChIKey:ZNGHVPBRAURUDC-UHFFFAOYSA-N
ID: 70580
SMILES:C1(C)(C)Oc2c(ccc(CCC)c2)C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 270.416
CB1 binding score: -17.328
InChIKey:LKGQBPKYNKTDTR-UHFFFAOYSA-N
ID: 70581
SMILES:CC1(O)Oc2c(c(O)cc(CCCCC)c2)C2(C)CCC1C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -14.026
InChIKey:NMNKRZYIJHOFCQ-UHFFFAOYSA-N