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Molecule Identifiers
Molecular Properties

ID: 133204

SMILES:
O1c2cc(CCC)cc(O)c2C=CC1(C)CCC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -18.334

InChIKey:
AAXZFUQLLRMVOG-UHFFFAOYSA-N

ID: 133205

SMILES:
c1(C(Oc2cc(CCCCC)cc(OC)c2CC=C(C)C)C=C(C)C)ccccc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 406.61

CB1 binding score: -13.401

InChIKey:
HSZALPQYOZPBNJ-UHFFFAOYSA-N

ID: 133206

SMILES:
C12CC=C(C)CC1c1c(cc(CCCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -20.649

InChIKey:
ZHYPKENABBMAAN-UHFFFAOYSA-N

ID: 133207

SMILES:
C(=CCCC1(C)C(O)C2Cc3cc(O)ccc3OC(C)(C)C2C1)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -15.374

InChIKey:
AERYKQBTLZEQIW-UHFFFAOYSA-N

ID: 133208

SMILES:
c1cc(CCCCC)cc2c1-c1cc(C)ccc1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 294.438

CB1 binding score: -18.455

InChIKey:
AKZMYJAEOJLEIA-UHFFFAOYSA-N

ID: 133209

SMILES:
C1(C)(C)Oc2c(cc(O)c(C)c2)C2C=C(C)CCC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -19.623

InChIKey:
MUNXTPXTGBOZLU-UHFFFAOYSA-N

ID: 133210

SMILES:
Oc1cc(C2C=C(C)CCC2C(C)=O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -14.777

InChIKey:
QANWTUCHAXOIIR-UHFFFAOYSA-N

ID: 133211

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)c2c1cc(CCCCC)cc2O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.544

CB1 binding score: -17.512

InChIKey:
MHSYVZRTKSNMPN-UHFFFAOYSA-N

ID: 133212

SMILES:
Cc1ccc(C2C(C(C)=C)CCC(C)=C2)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -19.801

InChIKey:
MISWBPJELUDMFI-UHFFFAOYSA-N

ID: 133213

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 444.612

CB1 binding score: -14.552

InChIKey:
CXYPIGDUIMYZKQ-UHFFFAOYSA-N

ID: 133214

SMILES:
CC1(O)C=C2C(C(C)(C)Oc3cc(CCC)cc(O)c32)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -17.594

InChIKey:
MVQCKSNKCFKCOR-UHFFFAOYSA-N

ID: 133215

SMILES:
C(c1ccc2c(c1)OC(C)(C)C1C2CC(COC(=O)CCC(O)=O)CC1)CCC=CCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 484.677

CB1 binding score: -15.519

InChIKey:
NCSQUKBGYCANAH-UHFFFAOYSA-N

ID: 133216

SMILES:
C1(O)(C)Cc2c(O)cc(CCCCC)cc2OC1(C)CCC=C(C)C=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -14.769

InChIKey:
ZWVOBJJBRGKSFP-UHFFFAOYSA-N

ID: 133217

SMILES:
C1(C(C)C)C=CC(C)=CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.216

InChIKey:
AOOBOQLXJOFYIO-UHFFFAOYSA-N

ID: 133218

SMILES:
C1CC2OC(C3C(C)(C)O3)CC(C)(Oc3cc(-c4c(CC=C(C)C)c(OC)cc(CCCCC)cc43)C2)C1=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 532.765

CB1 binding score: -13.703

InChIKey:
URUVBMKPVTWMDW-UHFFFAOYSA-N

ID: 133219

SMILES:
C(C)(=CCCC1(C)Oc2c(c(O)cc(C(OC(C)=O)CC)c2)CC1)C=CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.57

CB1 binding score: -13.997

InChIKey:
HKGREXDPCUPWBM-UHFFFAOYSA-N

ID: 133220

SMILES:
CC1(C)Oc2ccc(CCCCC)cc2C(C)C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.421

CB1 binding score: -13.549

InChIKey:
HOZPLWRBMLMBPA-UHFFFAOYSA-N

ID: 133221

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.302

InChIKey:
IPGGELGANIXRSX-UHFFFAOYSA-N

ID: 133222

SMILES:
c1(C(C)C)c2c(O)c(CO)cc1-c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.516

CB1 binding score: -15.226

InChIKey:
KVFJOBOGHXNULN-UHFFFAOYSA-N

ID: 133223

SMILES:
C1C(C(C)=C)C(c2cc(CCC(C(=C)C)O)c(C)cc2O)C(C(C)=C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.534

CB1 binding score: -16.479

InChIKey:
GNEIXPAOATUSME-UHFFFAOYSA-N

ID: 133224

SMILES:
c1(O)c2c(c(O)cc1CCCCC)OC(CCC=C(C)C)(C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.339

InChIKey:
DPWWYSVEFIPIFU-UHFFFAOYSA-N

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133204–133224 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