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Molecule Identifiers
Molecular Properties

ID: 137551

SMILES:
C(O)CCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -17.758

InChIKey:
TXVRIJHVLPFPMD-UHFFFAOYSA-N

ID: 137552

SMILES:
C(Cc1c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)cc1C)=CCC=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 338.491

CB1 binding score: -13.768

InChIKey:
VVSCKQNLJVDUGC-UHFFFAOYSA-N

ID: 137553

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -16.453

InChIKey:
DHQFLLPMDNOKEE-UHFFFAOYSA-N

ID: 137554

SMILES:
C(Cc1c(O)c2c(cc1O)OC(C)(C)C1C2C=C(C)CC1)CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -14.491

InChIKey:
TTXMTQZQFKPLNT-UHFFFAOYSA-N

ID: 137555

SMILES:
C1CC(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 137556

SMILES:
C(OC(C)(C)CCCC1(C)CCC(=C)C(Cc2c(O)ccc(O)c2)O1)=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -12.912

InChIKey:
JYRFYLHDBLVUSA-UHFFFAOYSA-N

ID: 137557

SMILES:
C(C)(C(O)C(=CCC1(C)C=Cc2c(cc(CCC)cc2O)O1)C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -14.254

InChIKey:
PCLIXJIDQTUXEI-UHFFFAOYSA-N

ID: 137558

SMILES:
CCCc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1C=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -18.164

InChIKey:
HQQHBAMOKHQOCQ-UHFFFAOYSA-N

ID: 137559

SMILES:
C(O)(=O)c1cc2c(cc1CCCCC)C1C(C)(O1)CCC=C(C)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -14.499

InChIKey:
IOFLQGOPIFRONB-UHFFFAOYSA-N

ID: 137560

SMILES:
C1(C)=CCC2C(C)(C)Oc3cc(CCCC)cc(O)c3C2C1(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.706

InChIKey:
HBSJNDFJAJCBJJ-UHFFFAOYSA-N

ID: 137561

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2CC(C(CCCO)=C1)C=C(C)C2(CCC=C(C)C(O)=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 482.661

CB1 binding score: -15.302

InChIKey:
FWRKMOITRGYTGV-UHFFFAOYSA-N

ID: 137562

SMILES:
C(CCC)Cc1cc2c(c(O)c1)C1CC(O)(CC=CC1(C)C)C(=O)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -15.813

InChIKey:
FKAJCZYUPWBNSM-UHFFFAOYSA-N

ID: 137563

SMILES:
Oc1c(C)cc2c(c1O)C1C=C(CO)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.359

CB1 binding score: -16.425

InChIKey:
NHKQKADGHAVMMA-UHFFFAOYSA-N

ID: 137564

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1CC=C(C)C2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.186

InChIKey:
KQQMZTULVOWZJR-UHFFFAOYSA-N

ID: 137565

SMILES:
C1(C)=CC2C(CC1)C(C)(C)Oc1cc(C)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -20.957

InChIKey:
WIDIPARNVYRVNW-UHFFFAOYSA-N

ID: 137566

SMILES:
c1c(CC)c(O)cc(CC=C(C)CCC=C(C)C)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -17.652

InChIKey:
GFZBDSMMEKEACG-UHFFFAOYSA-N

ID: 137567

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 137568

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -12.732

InChIKey:
GLEHULSYHGMVRG-UHFFFAOYSA-N

ID: 137569

SMILES:
C(CC=C(C)C)C1(C)Oc2cc(CCCCC)cc(O)c2C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 137570

SMILES:
C1(C)=CC(c2c(O)cc(CCCCC)cc2OC)C(C(C)=C)CC1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.808

InChIKey:
CVJIVDZPIMCFSK-UHFFFAOYSA-N

ID: 137571

SMILES:
C1(O)(C)CCC(C(C)C)C1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.473

CB1 binding score: -16.891

InChIKey:
VBGLJIFFNSKSNQ-UHFFFAOYSA-N

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Molecule Overview

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