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Molecule Identifiers
Molecular Properties

ID: 122914

SMILES:
CC(=CCCC(C)=CCc1cc(O)c2c(c1)OC(C)(C)C=CC2)CC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.507

CB1 binding score: -17.689

InChIKey:
MCQMYZGZNXZCJH-UHFFFAOYSA-N

ID: 122915

SMILES:
C12(OC)CC(C)=CCC1C(C)(C)Oc1c2cc(O)c(C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -16.54

InChIKey:
CWSNBLPAQVJFFL-UHFFFAOYSA-N

ID: 122916

SMILES:
C(CCCC)c1cc2c(c(OC)c1)C1C3C=CC(C3(O)CC=C1N=C(C)O)C(CC=C(CCC=C(C)C)C)=C2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 545.764

CB1 binding score: -16.749

InChIKey:
ATAZGYASUNWDLO-UHFFFAOYSA-N

ID: 122917

SMILES:
C1(C)C2C(C=C(C)C)(Oc3c(CCCCC)cc(O)cc32)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -14.913

InChIKey:
OSCYZCOCAQFPCI-UHFFFAOYSA-N

ID: 122918

SMILES:
CC1(C)Oc2cc(CCCCC)cc(OC)c2C2C1C1C(CCC2C)C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -15.973

InChIKey:
IBTOBEMSJHVXLZ-UHFFFAOYSA-N

ID: 122919

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -15.305

InChIKey:
BIFVOWHOXOSAHD-UHFFFAOYSA-N

ID: 122920

SMILES:
C1C(C(C)C)C(c2c(O)cc(CCC(CC)O)cc2O)C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -15.565

InChIKey:
LODNFXVAYWDDIC-UHFFFAOYSA-N

ID: 122921

SMILES:
Oc1c(C(CCCCCCCCCCCCC)=O)cc2c(c1O)C1C=C(CCC(OC)=O)C(C(=O)O)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 600.793

CB1 binding score: -14.614

InChIKey:
UHLNDRSTTKXYBO-UHFFFAOYSA-N

ID: 122922

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)c1c-2cc(C(O)=O)cc1)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.365

CB1 binding score: -14.89

InChIKey:
WMAHEAXGGFFAQJ-UHFFFAOYSA-N

ID: 122923

SMILES:
C(CO)Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -17.634

InChIKey:
XATUYSLLQMJNDN-UHFFFAOYSA-N

ID: 122924

SMILES:
C(C)(C)=CC(=O)c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.349

CB1 binding score: -18.768

InChIKey:
NXXHMSMYWFOUJV-UHFFFAOYSA-N

ID: 122925

SMILES:
CC1(C)Oc2c(cc(O)c(C)c2)C2C(C(C)=C)CC=C(C)C(O)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -9.797

InChIKey:
VRHLXMIFKHNURW-UHFFFAOYSA-N

ID: 122926

SMILES:
c1(C(C)(C)O)c(O)cc(C)c(C2CC(=C)CCC2C(C)=C)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -16.795

InChIKey:
HTVMVPLBVGNADT-UHFFFAOYSA-N

ID: 122927

SMILES:
c1(O)cc(CCCCCC)cc2c1C1C(O)(CC(=O)CC1C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -11.192

InChIKey:
VISRNBAQGPWNMC-UHFFFAOYSA-N

ID: 122928

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C1CC=C(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 122929

SMILES:
O=C(OC)c1c(O)cc(CCCCC)c(C2C(C)(C=C)C(=O)CC2C(O)=O)c1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.487

CB1 binding score: -12.89

InChIKey:
AQIOMJAKMUUKJJ-UHFFFAOYSA-N

ID: 122930

SMILES:
C(C)(=O)OC1C(C)(C)C2C(C)(Oc3c(c(O)cc(CCCCC)c3)C2)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 374.521

CB1 binding score: -16.032

InChIKey:
WTZOENPGVVTDMK-UHFFFAOYSA-N

ID: 122931

SMILES:
C1(C(C)=C)C(c2c(O)cc(CCCC)cc2O)C(C(=C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.075

InChIKey:
UZGWGDZXKIIQCV-UHFFFAOYSA-N

ID: 122932

SMILES:
CC(=C)C1C(c2c(O)cc(CCC)cc2O)CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -18.748

InChIKey:
ORIYPICUSOGUOA-UHFFFAOYSA-N

ID: 122933

SMILES:
c1(C=O)cc(O)c2c(c1OCC)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -15.429

InChIKey:
XQPHPTWGVPEQOO-UHFFFAOYSA-N

ID: 122934

SMILES:
CC(=CCCC(=CCc1c(O)c(O)c(C(C)C(CC)C)cc1O)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -15.929

InChIKey:
OTNPLMJLWQAUFU-UHFFFAOYSA-N

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122914–122934 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