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Molecule Identifiers
Molecular Properties

ID: 128479

SMILES:
OC(=O)c1c(O)c(C2C(C(C)=C)CCC(C)=C2)c(OC)cc1CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -16.502

InChIKey:
JOXXNLFMORRGKM-UHFFFAOYSA-N

ID: 128480

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -12.671

InChIKey:
MPOPWZOFXOKKSI-UHFFFAOYSA-N

ID: 128481

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 250.294

CB1 binding score: -15.008

InChIKey:
QQNIPFKBSBSINW-UHFFFAOYSA-N

ID: 128482

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(CO)=CC12)C(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -16.943

InChIKey:
KYRROFIRFUYHRQ-UHFFFAOYSA-N

ID: 128483

SMILES:
c1c(O)c(-c2c(O)cc(CCCCC)cc2O)c(CC=C(C)C)c(O)c1CC=C(C)CCC=C(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 492.7

CB1 binding score: -15.183

InChIKey:
DSZBJFPDQPKZTI-UHFFFAOYSA-N

ID: 128484

SMILES:
C1(C)CC(=O)C=C(C)CCC(C(C)C)C2c3c(O)cc(CCCCC)cc3OC(C)(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.668

CB1 binding score: -15.588

InChIKey:
PGFRHIDGLFFUQU-UHFFFAOYSA-N

ID: 128485

SMILES:
c1(O)c2c(cc(CCCC)c1)OC(C)(C)C1CC(=O)C3=CCCC(C)C3(C1O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.515

CB1 binding score: -16.071

InChIKey:
QVKAMWBJEJVBLL-UHFFFAOYSA-N

ID: 128486

SMILES:
C12C(CCC(C)=C1)C(C)(C)Oc1c2ccc(C(OC)=O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -18.509

InChIKey:
YXRXDJDIHUYQIC-UHFFFAOYSA-N

ID: 128487

SMILES:
C1(C(C)=CCC=C(C)C)CCC(CO)=CC1c1c(O)ccc(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -14.762

InChIKey:
LIZKOLQSRXTADH-UHFFFAOYSA-N

ID: 128488

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -17.712

InChIKey:
SBLQFIJJHXJVBQ-UHFFFAOYSA-N

ID: 128489

SMILES:
COc1c(C2C(C(=C)C)CCC(C)=C2)c(O)c(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -15.411

InChIKey:
NHGJOJFXAVGIRY-UHFFFAOYSA-N

ID: 128490

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(CO)=CC1)CCc1cc(OC)c(O)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 452.591

CB1 binding score: -16.598

InChIKey:
KVFBDUFHDINVTJ-UHFFFAOYSA-N

ID: 128491

SMILES:
CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 128492

SMILES:
c1(O)c(C)cc(CC=C(C)C)c(O)c1C1C=C(C)CCC1C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -15.728

InChIKey:
PXKNUFFLGOHZLC-UHFFFAOYSA-N

ID: 128493

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)CCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -18.354

InChIKey:
OJTMRZHYTZMJKX-UHFFFAOYSA-N

ID: 128494

SMILES:
CC(=CCCC1(C)Oc2cc(CCCCC)cc(O)c2C=C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 128495

SMILES:
O=C(Oc1cc(CCCCC)cc(OC(=O)C)c1C1(C)CCCC1(C)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -11.971

InChIKey:
PXQFJDSWMVBQAZ-UHFFFAOYSA-N

ID: 128496

SMILES:
c1(O)c(CC=C(CCC=C(C)C)C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 128497

SMILES:
c12c(c(O)cc(CCCCC)c1)C1C(CCC(O)(C)C1O)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -19.298

InChIKey:
TZGCTXUTNDNTTE-UHFFFAOYSA-N

ID: 128498

SMILES:
C(Cc1c(CCCCC)cc2c(c1)OC(C)(C)C1CCC(C)=CC21)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.578

CB1 binding score: -14.58

InChIKey:
CWVKRFDLVSRJHN-UHFFFAOYSA-N

ID: 128499

SMILES:
C(C)(CCC=C(C)C)=CCc1c(O)cc(CCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -19.824

InChIKey:
YJYIDZLGVYOPGU-UHFFFAOYSA-N

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128479–128499 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