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Molecule Identifiers
Molecular Properties

ID: 61573

SMILES:
CCCCCc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 61574

SMILES:
CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C=O)C(OC)C1(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -15.929

InChIKey:
GZXOERLKCZNHDU-UHFFFAOYSA-N

ID: 61575

SMILES:
O1c2c(c(O)cc(CCc3cccc(O)c(=O)c3C)c2)C2CCC3(C)C(C(C)=C)CCC3C12C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 460.614

CB1 binding score: -15.813

InChIKey:
KFYGVUQDZDCJMX-UHFFFAOYSA-N

ID: 61576

SMILES:
CC(C)C1=CCC(C)=CCCC2(C)Oc3cc(C)cc(O)c3C2C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -15.657

InChIKey:
WOCPEVYHDQATFT-UHFFFAOYSA-N

ID: 61577

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1CC(C)(O)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -20.807

InChIKey:
KSGRDIFQZVURIF-UHFFFAOYSA-N

ID: 61578

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.344

CB1 binding score: -18.186

InChIKey:
IMOLNLFPZZCPDW-UHFFFAOYSA-N

ID: 61579

SMILES:
CC(=C)C1C(c2c(O)cc(CCCCC)cc2OC(C)=O)=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -17.924

InChIKey:
FHMPFWRYUPJGOL-UHFFFAOYSA-N

ID: 61580

SMILES:
C1Cc2c(cc(CC)cc2O)OC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 206.285

CB1 binding score: -16.827

InChIKey:
QQLAQRCSGWPCHQ-UHFFFAOYSA-N

ID: 61581

SMILES:
C(=C)(C1CC(C)=CC1c1c(O)cc(CCC)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -15.363

InChIKey:
KGGYCGAPNHACKV-UHFFFAOYSA-N

ID: 61582

SMILES:
CC1=CC(c2c(O)cc(OC)cc2)C(C(C)=C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.88

InChIKey:
QPJZATIMFVDWEL-UHFFFAOYSA-N

ID: 61583

SMILES:
C(CCC)Cc1c(O)c2c(cc1)OC(C)(C)C1=CCC(C)=CC1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -15.522

InChIKey:
GDGSNDHBXLLTLS-UHFFFAOYSA-N

ID: 61584

SMILES:
c12c(O)cc(CCCCC)cc1OC(c1ccccc1)(CCC=C(C)C)C2O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.528

CB1 binding score: -15.659

InChIKey:
DODLZBNWTUWYIZ-UHFFFAOYSA-N

ID: 61585

SMILES:
C1C(C)(C)C2C3(c4c(cc(CCCCC)cc4O)OC3C1=O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -17.575

InChIKey:
OBRMNTWBLTYKFP-UHFFFAOYSA-N

ID: 61586

SMILES:
C(C)(=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: 61587

SMILES:
C1(CCC(C)=O)C2C(c3c(O)cc(C)cc3O)(C)CCC(C12C)C(C)(C)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -15.94

InChIKey:
KLVMJUNEGICTKV-UHFFFAOYSA-N

ID: 61588

SMILES:
C(C)CCCc1c(C)cc2c(c1O)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.856

InChIKey:
VNACZUSHQSXMKX-UHFFFAOYSA-N

ID: 61589

SMILES:
O=C1C(=O)C(C(CC(C)=O)=O)=C2C3C(C(C)(C)Oc4c3cc(O)c(C)c4)C(CCC(C)C)C2(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 480.601

CB1 binding score: -13.522

InChIKey:
NFVZVESCNNSMQD-UHFFFAOYSA-N

ID: 61590

SMILES:
C(=C(C)C)CCC1(C)C=Cc2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 61591

SMILES:
C12c3c(cc(CCCCC)cc3O)OC(C)(C)C1CC=C(CCC=C(C)C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -18.748

InChIKey:
MSFQJCWLUOJTPP-UHFFFAOYSA-N

ID: 61592

SMILES:
C(CC)=Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC(O)C(C)(O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -14.289

InChIKey:
MMZWNOXNLQWLLT-UHFFFAOYSA-N

ID: 61593

SMILES:
C(C)CCCCc1cc2c(c(OC)c1)C=CC(CCC=C(C)C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -17.056

InChIKey:
VYOOXLYVKNLAFA-UHFFFAOYSA-N

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61573–61593 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