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Molecule Identifiers
Molecular Properties

ID: 132805

SMILES:
Oc1c(C2C(C(C)=CCC=C(C)C)CC=C(C)C2O)c(O)cc(CCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -15.199

InChIKey:
ZBWJDXLYBIIIDI-UHFFFAOYSA-N

ID: 132806

SMILES:
C1(C)=C2C(C(OC)=O)(c3cc(CCCCC)cc(O)c31)CC(C1CCCCC1)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.543

CB1 binding score: -14.622

InChIKey:
KNPDUZGSQIGFQU-UHFFFAOYSA-N

ID: 132807

SMILES:
N(CC)CC(=O)c1c(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)cc1CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 397.559

CB1 binding score: -13.15

InChIKey:
TXMZAUIWVUYMBR-UHFFFAOYSA-N

ID: 132808

SMILES:
C12=C(CCC(C)C1)C(C)(C)Oc1cc(CCCCC)cc(O)c1C2CC(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -14.041

InChIKey:
DNQBNQIJGQSXPJ-UHFFFAOYSA-N

ID: 132809

SMILES:
C1(c2c(=O)cc(CCCCC)oc2)C=C(C)CCC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -13.19

InChIKey:
ZQZRZLUQDYJWKJ-UHFFFAOYSA-N

ID: 132810

SMILES:
C1=Cc2c(O)c(C(O)=O)c(CCCCC)cc2OC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.359

CB1 binding score: -18.748

InChIKey:
AIWWNGHRWHAXTF-UHFFFAOYSA-N

ID: 132811

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.385

InChIKey:
YYLPAYRRVSQJRR-UHFFFAOYSA-N

ID: 132812

SMILES:
C(c1cc(OC)c2c(c1)OC(CCC=C(C)CCC=C(C)C)(C)C=C2)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -16.92

InChIKey:
SJBPKFQYKGUKED-UHFFFAOYSA-N

ID: 132813

SMILES:
C(C(CC1(C)Oc2c(c(C)cc3c2cc(O)cc3C)C1)C(CC)C)=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.545

CB1 binding score: -13.517

InChIKey:
SKTZWZKECGFBBH-UHFFFAOYSA-N

ID: 132814

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 132815

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C(O)CCC(C)=CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -16.809

InChIKey:
ZLVXPWJJYLDVIH-UHFFFAOYSA-N

ID: 132816

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -18.334

InChIKey:
LMTQDQLMOBKYNY-UHFFFAOYSA-N

ID: 132817

SMILES:
O1C(C=C(C)C)C(O)C(C)=CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -15.929

InChIKey:
NDTJRMBVTSYOCV-UHFFFAOYSA-N

ID: 132818

SMILES:
C1(c2c(O)cc(CCCCC)cc2OC)C(C=C)C(NC=O)(C)CCC1C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 399.575

CB1 binding score: -16.476

InChIKey:
MIUUNJAJWVYVKT-UHFFFAOYSA-N

ID: 132819

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C1CC=C(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 132820

SMILES:
C(=C(C)CO)CCC(=CCc1c(O)cc(CCCCC)c(C(=O)O)c1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.493

CB1 binding score: -18.124

InChIKey:
GUMRKMJJLHFLMN-UHFFFAOYSA-N

ID: 132821

SMILES:
O=C(OC)c1cc(CCCCC)cc2c1C1C(CC(=O)C(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: -14.691

InChIKey:
TUCIJDVYQJMTCZ-UHFFFAOYSA-N

ID: 132822

SMILES:
O1C(C=C(C)C)CC(C)=CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.874

InChIKey:
QYDIJMUBCBBMTH-UHFFFAOYSA-N

ID: 132823

SMILES:
C1CC(C)=CC(c2c(O)cc(CCC)cc2C)C1C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids;Sesquiterpenoids

Class: Cadinane sesquiterpenoids;Cannabinoids

MW: 286.459

CB1 binding score: -16.604

InChIKey:
ZURIPAHOEYHWEB-UHFFFAOYSA-N

ID: 132824

SMILES:
C1C(CCC=C(CO)C)(C)Oc2c(c(O)cc(CCCCC)c2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.346

InChIKey:
POPBLMRNLSTLOC-UHFFFAOYSA-N

ID: 132825

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C1CCC(=C)C(O2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -13.423

InChIKey:
WKXFWKNFORMNAJ-UHFFFAOYSA-N

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132805–132825 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