ID: 134632
SMILES:c1(C(C23C(=O)C(CC=C(C)C)(C2=O)CC=C(C)C3)C)cc(CCCCC)cc(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Polyprenylated cyclic polyketides (Hop meroterpenoids)
MW: 408.582
CB1 binding score: -15.814
InChIKey:OQDBTLHNGACYGO-UHFFFAOYSA-N
ID: 134633
SMILES:c1cc(CCCCC)cc(O)c1-c1c(O)cc(O)c2c1OC(CCC=C(C)C)(C)CC2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.581
CB1 binding score: -15.403
InChIKey:YSKOTSYJYZQPAD-UHFFFAOYSA-N
ID: 134634
SMILES:O1C(=O)C2(CC2C(C(C)=C)C(c2c(O)cc(O)cc2CCCCC)=O)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.46
CB1 binding score: -13.517
InChIKey:JQXDWZIGGFKLNQ-UHFFFAOYSA-N
ID: 134635
SMILES:CC(=CC(=O)CC(C)=CCc1cc(O)c(CC)cc1O)CO
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.386
CB1 binding score: -15.279
InChIKey:PILXNWRIGXXIAT-UHFFFAOYSA-N
ID: 134636
SMILES:C1(C)=CC2c3c(cc(CCCCC)cc3OC2(C)C)OC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -16.191
InChIKey:AFIZLWSLBJNERC-UHFFFAOYSA-N
ID: 134637
SMILES:c1(O)c(CC(CC=C(C)C)C(=C)C)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -16.608
InChIKey:VEXTXXHSZSBPPW-UHFFFAOYSA-N
ID: 134638
SMILES:c1(O)c(C)cc(OC)c(OC)c1C1C=C(C)CCC1C(C)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -18.08
InChIKey:XMXJHVQETSCUFD-UHFFFAOYSA-N
ID: 134639
SMILES:CC1(C)C2CCC(C)=CC2Cc2cc(ccc2O)C(=O)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -16.371
InChIKey:PJBULFIVXHRCCM-UHFFFAOYSA-N
ID: 134640
SMILES:O(C)c1cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.348
InChIKey:FJRQDVCLUUZSIG-UHFFFAOYSA-N
ID: 134641
SMILES:O(C)c1c(C(C)C)cc2c(c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -18.134
InChIKey:BEOGPCUMBXILGS-UHFFFAOYSA-N
ID: 134642
SMILES:O=C1C(C)=C(C2C(CO)(CCC=C(C)C)Oc3cc(CCCCC)cc(O)c32)CCC(C)(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.678
CB1 binding score: -17.343
InChIKey:RUBLDJPRPNYOKD-UHFFFAOYSA-N
ID: 134643
SMILES:c1(O)cc(CCC)cc2c1C1C3(C4C(C)(C)C4CCC(C)C13)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -14.879
InChIKey:VQQBATRAGXRLQO-UHFFFAOYSA-N
ID: 134644
SMILES:C1(C)(C)Oc2ccc(O)c3c2C2C(C(C)CCC12)Oc1c(O)cc(CCCCCC)cc13
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.592
CB1 binding score: -15.068
InChIKey:RYMGNEKLINOYBX-UHFFFAOYSA-N
ID: 134645
SMILES:C(CC=C(C)C)C1(C)Oc2c(c(O)cc(CCCCC)c2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -18.758
InChIKey:BBSLEQVLKFGGIE-UHFFFAOYSA-N
ID: 134646
SMILES:C(CCc1cc2c(cc1)C1=C(C(C)(C)O2)CC(O)C(C)(CCC2C(C)(C)O2)O1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -15.116
InChIKey:ZIVWFERCWLWWOM-UHFFFAOYSA-N
ID: 134647
SMILES:c1(C)cc2c(cc1)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 134648
SMILES:O=C1C(C)C(O)C2c3c(O)cc(CCCCC)cc3OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.793
InChIKey:BCCMRQUXNBIESY-UHFFFAOYSA-N
ID: 134649
SMILES:O=C1c2c(O)cc(CCCCC)cc2OC1(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.322
CB1 binding score: -19.037
InChIKey:WOUJHLUSTPDGBC-UHFFFAOYSA-N
ID: 134650
SMILES:C(CC(c1cc2c(cc1O)OC1(C)C(C2C=C(C)C)CCC1=O)OC(C)(CCC=C(C)C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.678
CB1 binding score: -14.886
InChIKey:QFBCJTLMAKPFHA-UHFFFAOYSA-N
ID: 134651
SMILES:CC1(C)CCC=C2Cc3c(O)cc(CCCCC)cc3OC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.201
InChIKey:YPIKTBXCACRAFN-UHFFFAOYSA-N
ID: 134652
SMILES:C1(=O)C(O)=CC2C(C)(C)Oc3cc(C(C(=[N+]C)C)C)c(O)c(C)c3C2C=C(C)CCC=C1CO
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 467.606
CB1 binding score: -14.424
InChIKey:FDLWQOCHNIDYGN-UHFFFAOYSA-N