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Molecule Identifiers
Molecular Properties

ID: 33265

SMILES:
C(CCC)Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C=C)(C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.527

InChIKey:
WLDYXZUAKDGWLY-UHFFFAOYSA-N

ID: 33266

SMILES:
C(CCCC(C)C)c1cc(OC)c(C2C(C(C)C)CCC(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.566

CB1 binding score: Not available

InChIKey:
QCRFMIZDKKXOLG-UHFFFAOYSA-N

ID: 33267

SMILES:
c1(O)cc(CCC)cc2c1C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.805

InChIKey:
CDBDULHNWQRYSY-UHFFFAOYSA-N

ID: 33268

SMILES:
CC1(C)Oc2cc(O)c(C(=O)C(C)C)c(OC(=O)C)c2C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.461

CB1 binding score: -16.877

InChIKey:
GTVXCNITZGSDPQ-UHFFFAOYSA-N

ID: 33269

SMILES:
C1(C)(C)Oc2cc(CCC)ccc2C2C1CC=C2C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 256.389

CB1 binding score: -16.543

InChIKey:
VLRHNUHZEBMCSZ-UHFFFAOYSA-N

ID: 33270

SMILES:
C(Cc1cc(C2C=C(C)CCC2C(=C)C)c(O)cc1OC)(CC)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.929

InChIKey:
QFRAQKAROKJDEQ-UHFFFAOYSA-N

ID: 33271

SMILES:
C(Cc1c(O)cc(CCC)cc1O)=C(C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -19.824

InChIKey:
YJYIDZLGVYOPGU-UHFFFAOYSA-N

ID: 33272

SMILES:
C(C(C)=CCc1c(O)c(C2C(C(=C)C)CCC(C)=C2)cc(OC)c1)OC(C)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.516

CB1 binding score: -15.617

InChIKey:
YTNDYPUOJPEZIB-UHFFFAOYSA-N

ID: 33273

SMILES:
CC1(C)C(CCC(C)=CCc2c(O)cc(CCC)cc2O)=C(C)CCC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -15.551

InChIKey:
VDEMMUDAHJCTBF-UHFFFAOYSA-N

ID: 33274

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 33275

SMILES:
c1(OC(=O)C)c(OC(=O)C)c(CC=C(CCC=C(C)C)C)c(O)c2c1C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 496.644

CB1 binding score: -12.638

InChIKey:
ZOBCKFJLYSMMMC-UHFFFAOYSA-N

ID: 33276

SMILES:
Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)(O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -18.006

InChIKey:
SUFPQJMELBBUPW-UHFFFAOYSA-N

ID: 33277

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.523

InChIKey:
CXEGXXQEGWSHEO-UHFFFAOYSA-N

ID: 33278

SMILES:
Oc1cc(O)c2c(c1)C1CC(C)=CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -17.624

InChIKey:
ZZWZWPVQXHMOQM-UHFFFAOYSA-N

ID: 33279

SMILES:
Oc1cc(CCCCC)cc2c1C1C(CCC(CO)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 33280

SMILES:
COC(=O)c1c(O)c(C)c(O)c2c1C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.396

CB1 binding score: -13.981

InChIKey:
CVCOMVLSKNLORZ-UHFFFAOYSA-N

ID: 33281

SMILES:
CC(OC1C(C)(C)C2C(C)(CC1)Oc1c(c(O)cc(CCCCC)c1)C2)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 374.521

CB1 binding score: -16.032

InChIKey:
WTZOENPGVVTDMK-UHFFFAOYSA-N

ID: 33282

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C(=O)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.349

CB1 binding score: -18.771

InChIKey:
VGSHJKOXKGYENI-UHFFFAOYSA-N

ID: 33283

SMILES:
C1C=C(C)CC2C1C(C)(C)Oc1cc(CCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.805

InChIKey:
CDBDULHNWQRYSY-UHFFFAOYSA-N

ID: 33284

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 33285

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2(O)C1(C=O)CC(O)C(C)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.476

CB1 binding score: -15.946

InChIKey:
ISGQTGBYVGUSMT-UHFFFAOYSA-N

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33265–33285 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