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Molecule Identifiers
Molecular Properties

ID: 75328

SMILES:
C1C2C(OC(C)=O)(C)CC1c1c(OC)cc(CCCCC)cc1O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -16.739

InChIKey:
XPMWYPIOISZWJC-UHFFFAOYSA-N

ID: 75329

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 75330

SMILES:
Oc1c(C2(OC)C=C(C)CCC2C(C)C)c(O)c2c(c1)OC(C)(C)C1C2C=C(CO)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.596

CB1 binding score: -16.373

InChIKey:
RYAJTFCLNZLVEG-UHFFFAOYSA-N

ID: 75331

SMILES:
C12=C(c3c(cc(C)c(C(O)=O)c3)OC1(C)C)OC21CC(C)C2CC(C1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.499

CB1 binding score: -17.796

InChIKey:
HFECDYIFGHQMQF-UHFFFAOYSA-N

ID: 75332

SMILES:
C1(=O)C2(C(C(C)(C)O)CCC(C)=C2)c2c(cc(CCCCC)cc2O)OC1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -16.046

InChIKey:
GBWSXGWBPMYWPI-UHFFFAOYSA-N

ID: 75333

SMILES:
C(CC)CCc1cc(O)c2c(c1)OC(CCC1(C)C(=C)C(C)CCC1)(C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -18.484

InChIKey:
SATQKFSPFPMXNY-UHFFFAOYSA-N

ID: 75334

SMILES:
C1(=C(C)CO)CCC2c3c(O)cc(CCCC)cc3CCC2(C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.449

InChIKey:
WEYCMCPVVZPIPV-UHFFFAOYSA-N

ID: 75335

SMILES:
C1CC=C(C)C(C)(C)C1C(=O)Oc1c(CO)c(OC)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -15.778

InChIKey:
QANMYDAGAORRGM-UHFFFAOYSA-N

ID: 75336

SMILES:
c1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(=O)C=C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.426

CB1 binding score: -15.038

InChIKey:
XUMFASUCSCTUEG-UHFFFAOYSA-N

ID: 75337

SMILES:
C12(C(=C)CC=CC1(C)C)Oc1c(c(O)cc(CCCCC)c1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -15.633

InChIKey:
IDAHERSQVWMNNI-UHFFFAOYSA-N

ID: 75338

SMILES:
C(Cc1c(CO)c(OC)c2c(c1)OC(C)(C)C1CC=C(C)CC12)CC(OC)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.575

CB1 binding score: -14.971

InChIKey:
HYNSOAYJMIDYPF-UHFFFAOYSA-N

ID: 75339

SMILES:
CC1(C)Oc2cc(CCC(O)C(C)(C)O)c(O)cc2C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -13.344

InChIKey:
URDWPDQBHKEGHA-UHFFFAOYSA-N

ID: 75340

SMILES:
C(C)C(C(C)=C1C2(C)c3c(c(C)c(Cc4c(O)c(C5C(C(C)=C)CCC(C)=C5C)c(O)c(O)c4)cc3O)OC2(C)C)C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 584.797

CB1 binding score: -16.221

InChIKey:
IBESJNGMIQWWFE-UHFFFAOYSA-N

ID: 75341

SMILES:
C12(C)OC1CCC1(C)C(C(O)C2C(C)C)c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -16.319

InChIKey:
AAPFFSONACZYLD-UHFFFAOYSA-N

ID: 75342

SMILES:
c1(O)cc2c(cc1CCCCC)OC(C)(C)C1C2CC(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -17.244

InChIKey:
RATPZVRWFAEHRG-UHFFFAOYSA-N

ID: 75343

SMILES:
c1(CC(C2=CCC(C)C2(CCC)C)C)c(O)cc2c(c1CCCCC)OC(C)(C)CC2=CCO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 468.722

CB1 binding score: -15.772

InChIKey:
QXXCHCZJWULRMH-UHFFFAOYSA-N

ID: 75344

SMILES:
C(C1(C)Oc2cc(CCCCC)c(C(=O)O)c(O)c2C2C(CC1)C(C)(O)CCC2C(C)(C)O)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 490.681

CB1 binding score: -12.659

InChIKey:
PJWHMHOEABKSFU-UHFFFAOYSA-N

ID: 75345

SMILES:
c1(O)c(C(=O)CC(=C)C(C)C)c(O)c2c(c1)OC(C)(C)C1C2C=C(CO)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.488

CB1 binding score: -16.237

InChIKey:
NCVBYTAKUNLJOK-UHFFFAOYSA-N

ID: 75346

SMILES:
Oc1c(C(=O)CC(C)C)c(O)c2c(c1)OC(C)(C)C1CC(=O)C(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.434

CB1 binding score: -14.99

InChIKey:
UAAKRDZWTYBCOY-UHFFFAOYSA-N

ID: 75347

SMILES:
c12c(c(CCCCC)cc(O)c1)OC(C)(C)C1CCC(CO)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.427

InChIKey:
XQDZPPPNDMZKGW-UHFFFAOYSA-N

ID: 75348

SMILES:
C12C(C)(COC(=O)C1)c1c(cc(CCCCC)cc1O)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.359

CB1 binding score: -16.655

InChIKey:
LPPWWGDYXMNWFV-UHFFFAOYSA-N

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75328–75348 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