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Molecule Identifiers
Molecular Properties

ID: 75286

SMILES:
C12C(C=C(C)Oc3c1c(O)cc(CCCCC)c3)C1C(C(=O)OC)C=CC(C(C)C)C1C=C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 492.7

CB1 binding score: -14.96

InChIKey:
FMDLGDDBRDFYAT-UHFFFAOYSA-N

ID: 75287

SMILES:
C(CCc1cc2c(c(O)c1C(=O)O)OC(C)(C)C1CCC(C)=CC21)=CC(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.5

CB1 binding score: -13.522

InChIKey:
ITMZUGDTLXAZJC-UHFFFAOYSA-N

ID: 75288

SMILES:
C(C(=CCc1c(O)cc(CCCCC)c(C=O)c1O)C)CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 344.495

CB1 binding score: -19.069

InChIKey:
ROXSKQXJGMFFHX-UHFFFAOYSA-N

ID: 75289

SMILES:
C1(CO)(C)C2CCC3(C)Oc4cc(CCCCC)cc(O)c4C3C2CCC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -15.032

InChIKey:
NKJGPOGAMFPRAL-UHFFFAOYSA-N

ID: 75290

SMILES:
Oc1c(O)c2c(cc1CCCCC)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.889

InChIKey:
UQZHCXRAKGTLRR-UHFFFAOYSA-N

ID: 75291

SMILES:
C(C)CCCc1cc(O)c2c(c1)OC(C)(C)c1c2cc2c(C)ccc(C(C)C)c-2c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.578

CB1 binding score: -15.847

InChIKey:
UPCFROYIXXOPDO-UHFFFAOYSA-N

ID: 75292

SMILES:
c1(CCCCCCCCCC)cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -18.531

InChIKey:
QHXOCZYXQWUAQM-UHFFFAOYSA-N

ID: 75293

SMILES:
C1=CC(C)(C)Oc2c1c(O)cc(CCCCC)c2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -20.081

InChIKey:
XLSYFQOJMWXOCT-UHFFFAOYSA-N

ID: 75294

SMILES:
c12c(cc(O)c(CC=C(C)C)c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Miscellaneous meroterpenoids

MW: 312.453

CB1 binding score: -18.355

InChIKey:
VFLGTBXMYZAKIC-UHFFFAOYSA-N

ID: 75295

SMILES:
C(CC(C)=CCCC1(C)Oc2c(c(O)cc(CCCCC)c2)C=C1)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -19.944

InChIKey:
PXPDKUHGJIMKBA-UHFFFAOYSA-N

ID: 75296

SMILES:
C(CC)Cc1cc(O)c(C2C=C(C)CCC2C(C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -18.479

InChIKey:
QHFVULIOBFWRAD-UHFFFAOYSA-N

ID: 75297

SMILES:
Oc1c(CC=C(C)C)c(O)c(C=O)c(CCCCC)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -18.049

InChIKey:
UTQODHOHWHAWHC-UHFFFAOYSA-N

ID: 75298

SMILES:
c1(CC)cc(O)c(C2C=C(C)CCC2C(=C)C)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 256.389

CB1 binding score: -17.479

InChIKey:
CXRSPYMYNPYCMM-UHFFFAOYSA-N

ID: 75299

SMILES:
C12C(Cc3c(O)cc(C)cc3OC1(C)C)(C)C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -17.295

InChIKey:
RKTCOIBKLPCABK-UHFFFAOYSA-N

ID: 75300

SMILES:
CC1(C)Oc2c(c(O)cc(CCCC)c2)C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 75301

SMILES:
CC(C)(C1C(c2cc(CCCc3cocc3)cc(OC)c2)C=C(C)CC1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.545

CB1 binding score: Not available

InChIKey:
SBRBLFCLJIFUNX-UHFFFAOYSA-N

ID: 75302

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12)CC=C(C)CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -15.954

InChIKey:
GTFBHIJOEJKPMM-UHFFFAOYSA-N

ID: 75303

SMILES:
C1(=C)C2=C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CC2C(C)(CCC1=O)C=CC(C(C)(O)C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 494.672

CB1 binding score: -16.193

InChIKey:
RTUTUIXVYWMBFE-UHFFFAOYSA-N

ID: 75304

SMILES:
c1(O)c(CCCCC)cc2c(c1O)C1C(C(C)(C)O2)CCC(CO)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -18.012

InChIKey:
UHVHVJGGPNBAJX-UHFFFAOYSA-N

ID: 75305

SMILES:
C(CC)CCCc1ccc2c(c1)OC(C)(C)C1C2=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -15.929

InChIKey:
AVPXMKGEYLGVSU-UHFFFAOYSA-N

ID: 75306

SMILES:
C1(C)=CC(c2c(O)cc(O)cc2CCCCC)C(C(C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -18.593

InChIKey:
RHRYIQNXICLAPT-UHFFFAOYSA-N

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75286–75306 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