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Molecule Identifiers
Molecular Properties

ID: 127555

SMILES:
C(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 127556

SMILES:
C1C=C(C)C(O)C2c3c(cc(CCCCC)cc3O)OC(C)(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.186

InChIKey:
KQQMZTULVOWZJR-UHFFFAOYSA-N

ID: 127557

SMILES:
C(=C)(C)C1C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 127558

SMILES:
C(=Cc1cc(OC)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.426

CB1 binding score: -15.603

InChIKey:
GPZAQGQTQYAFFC-UHFFFAOYSA-N

ID: 127559

SMILES:
C1(C(C)C)C2c3c(cc(CCCCC)cc3O1)C(O)C(CCC=C(C)C)(C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.576

CB1 binding score: -14.627

InChIKey:
HMWIWVAYTXKCEG-UHFFFAOYSA-N

ID: 127560

SMILES:
C1C(CO)=CC(c2c(O)cc(O)cc2CCCCC)C(C(C)=C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.943

InChIKey:
ZIFSVNORKZBEHY-UHFFFAOYSA-N

ID: 127561

SMILES:
C(CCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12)C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.507

CB1 binding score: -13.321

InChIKey:
ULAKIQKZDPHOLR-UHFFFAOYSA-N

ID: 127562

SMILES:
C1C2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 127563

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 127564

SMILES:
CC1(C)C2CC=C(C=O)CC2c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -18.255

InChIKey:
BGIBNWZALWRTHR-UHFFFAOYSA-N

ID: 127565

SMILES:
c1(O)c(C2C=C(C)CCC2C(C)=C)c(O)c(OC)cc1CCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -15.907

InChIKey:
XPRALWMHWAPCOT-UHFFFAOYSA-N

ID: 127566

SMILES:
c12c(c(O)cc(CCCCC)c1)C1C(C(C)(CCC=C(C)C)O1)CCC2=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -16.562

InChIKey:
JGPURSJIXUHEPB-UHFFFAOYSA-N

ID: 127567

SMILES:
C1CC(C)C2(C)CCC(C)=CC2c2c1cc(CCCCC)cc2OC(CCCC(OC(C)(C)C)C=C)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 508.787

CB1 binding score: -17.914

InChIKey:
SWXIEVVQRXPKKB-UHFFFAOYSA-N

ID: 127568

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1=CC(=O)C(C)(O2)CC1)CC(C(=O)O)(C)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 404.459

CB1 binding score: -15.929

InChIKey:
GFXIXIGAIIVXGO-UHFFFAOYSA-N

ID: 127569

SMILES:
CC(C)=CC=CC(=C)C1CCC(C)=CC1c1c(O)cc(O)cc1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.464

CB1 binding score: -15.953

InChIKey:
BMTOOXQZOKUGIH-UHFFFAOYSA-N

ID: 127570

SMILES:
C1(O)C2C(C(O)(C)C)(CC(OCC=C(C)C)C2(C)C)c2c(O)cc(CCCCC)cc21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.629

CB1 binding score: -17.68

InChIKey:
ZLWNRRZFZCUIDH-UHFFFAOYSA-N

ID: 127571

SMILES:
c1(OC)c(O)c(O)cc2c1-c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.434

CB1 binding score: -17.334

InChIKey:
GMZIEOWUNONQFZ-UHFFFAOYSA-N

ID: 127572

SMILES:
C1(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 127573

SMILES:
c1c(O)c(CC=C(CCC=C(C)C)C)c(O)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 127574

SMILES:
CC1(C)OC(=O)C(C2(OC)c3c(cccc3)O2)c2c(O)cc(CCCCC)cc21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.483

CB1 binding score: -13.996

InChIKey:
QFMPRYBHTVLZEA-UHFFFAOYSA-N

ID: 127575

SMILES:
C1(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

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127555–127575 of 773808 items

Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties