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Molecule Identifiers
Molecular Properties

ID: 137257

SMILES:
CC(C)C1CCCC2(C)C3Oc4c(c(O)cc(CCCCC)c4)CC3C(C)C=C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: -14.548

InChIKey:
LRYVDGIWJNJVGN-UHFFFAOYSA-N

ID: 137258

SMILES:
CC1(C)Oc2cc(O)cc(CCCCC)c2C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.377

CB1 binding score: -14.642

InChIKey:
QHHUWRBIKJAMLS-UHFFFAOYSA-N

ID: 137259

SMILES:
C1=CC(C(C)(OC)C)C(c2c(O)cc(CCCCC)cc2O)C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -15.981

InChIKey:
OFLVJCPSHVVGMJ-UHFFFAOYSA-N

ID: 137260

SMILES:
C12(C3C(c4c(cc(CCCCC)cc4OC)OC3O)OC1(C)C)CC(C)=CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -12.295

InChIKey:
KANSTDLZTMGENT-UHFFFAOYSA-N

ID: 137261

SMILES:
C1(C)=CC(c2c(O)cc(CCC)cc2OC)C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.854

InChIKey:
OZYYEDPTJXVZJQ-UHFFFAOYSA-N

ID: 137262

SMILES:
C1OC1(C)C1C(CC=C(C)C)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -13.262

InChIKey:
WORHFDRCXCMBNK-UHFFFAOYSA-N

ID: 137263

SMILES:
CCCCc1cc(O)c(C2C=C(C)CCC2C(C)C(=O)OCC)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -17.626

InChIKey:
RCZQXZTWTDRMRQ-UHFFFAOYSA-N

ID: 137264

SMILES:
OC1C2C(C3C(CCC2(O)C)C3=C)c2c(OC)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids;Sesquiterpenoids

Class: Cannabinoids;Guaiane sesquiterpenoids

MW: 372.505

CB1 binding score: -15.264

InChIKey:
YEULCSQLHUECKT-UHFFFAOYSA-N

ID: 137265

SMILES:
C(Cc1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -20.128

InChIKey:
YOJPFISTURZHJT-UHFFFAOYSA-N

ID: 137266

SMILES:
c1(CC(C)OC)cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -17.293

InChIKey:
OGHMYUOMTUBFIC-UHFFFAOYSA-N

ID: 137267

SMILES:
C1(=O)C=C(C)CC(c2c(O)cc(CCC)cc2OC)C1C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -15.873

InChIKey:
FAHHNBKZLAIFCN-UHFFFAOYSA-N

ID: 137268

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C1CCC(O)(C)C2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -19.298

InChIKey:
TZGCTXUTNDNTTE-UHFFFAOYSA-N

ID: 137269

SMILES:
Oc1c(C)cc2c3c1C1C(C(C)(C)O2)CCC(C=O)=C1CCC3C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -15.347

InChIKey:
AUMUCPSEVDOMBS-UHFFFAOYSA-N

ID: 137270

SMILES:
C(CCCCCCCC(OCC(=CCCC(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)=C)C)=O)=CC(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 592.905

CB1 binding score: -16.404

InChIKey:
STKMEDXYJGSMLT-UHFFFAOYSA-N

ID: 137271

SMILES:
Oc1c(C2C(C(C)=C)CCC(C)=C2)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 137272

SMILES:
C(c1cc(O)c(C2C=C(C)CCC2C(C)C)c(O)c1)CC(C)=CC=CC(O)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -16.819

InChIKey:
NVJOBDOQALHUPY-UHFFFAOYSA-N

ID: 137273

SMILES:
CC1CCC(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.501

CB1 binding score: -21.078

InChIKey:
LXIXAVCVBZBXIY-UHFFFAOYSA-N

ID: 137274

SMILES:
C(CCCCc1c2c(c(O)cc1OC)C1C3C(CC=C(C(NC)=O)C31)C2C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 383.532

CB1 binding score: -14.77

InChIKey:
KPAOBOGFJUSDPL-UHFFFAOYSA-N

ID: 137275

SMILES:
C1(O)CC2(C)Oc3cc(CCCCC)cc(O)c3C(C(O)(C)C)CC2C(C)(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 406.563

CB1 binding score: -16.429

InChIKey:
JQYZSUYAYFQUIP-UHFFFAOYSA-N

ID: 137276

SMILES:
O(c1cc(CCN(C)C)cc(C2C(C(C)C)CCC(C)=C2)c1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 315.501

CB1 binding score: -15.824

InChIKey:
NTFJEONYKOPWOC-UHFFFAOYSA-N

ID: 137277

SMILES:
CC(C)=CCCC(C)=CCc1c(O)cc(CCCCC)cc1OC(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -18.767

InChIKey:
OGCCABVUOZBTQV-UHFFFAOYSA-N

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137257–137277 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