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Molecule Identifiers
Molecular Properties

ID: 66067

SMILES:
CCCCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 66068

SMILES:
C1C2(C)C(O)(C(C)(C)C(=O)C1)COc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -15.425

InChIKey:
YZOVXTUCXRNOIF-UHFFFAOYSA-N

ID: 66069

SMILES:
c12c(O)c(C(=O)C(C)C)c(O)c(CC=C(C)CCCC(C)(OC(C)=O)C)c1OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 526.714

CB1 binding score: -15.466

InChIKey:
PCGVBKYMAZANDC-UHFFFAOYSA-N

ID: 66070

SMILES:
C=C(C)C1CC(C(C)=C)(C)C(c2c(O)cc(CCCCC)cc2O)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -14.256

InChIKey:
BWYJOBIXSLRUMR-UHFFFAOYSA-N

ID: 66071

SMILES:
CC1(C)C(c2c(O)cc(CCCCC)cc2OC)CC(C)=CCC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -16.043

InChIKey:
YMHFHDQDJZPOMG-UHFFFAOYSA-N

ID: 66072

SMILES:
O=C1c2c(O)cc(CCCCC)cc2OC(C)(C)C1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 278.348

CB1 binding score: -18.149

InChIKey:
PWNRYJVNGXSCQW-UHFFFAOYSA-N

ID: 66073

SMILES:
c1c(CCC)c(O)c(C2C=C(C)CCC2C(=C)C)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 270.416

CB1 binding score: -15.961

InChIKey:
PFAVCEWDCBXSIU-UHFFFAOYSA-N

ID: 66074

SMILES:
C1C=CC2C(c3c(O)cc(CCCC)cc3O2)C1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.399

CB1 binding score: -13.421

InChIKey:
XNUUZXOIKNJVMT-UHFFFAOYSA-N

ID: 66075

SMILES:
c12c(cc(CCCCC)cc1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -18.189

InChIKey:
AIOSXAOKGBOYPS-UHFFFAOYSA-N

ID: 66076

SMILES:
CC(C1CC2C(C)(Oc3c(c(O)cc(CCCCC)c3)C2)CC1)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -16.989

InChIKey:
FMEAUTFJQZCISA-UHFFFAOYSA-N

ID: 66077

SMILES:
Oc1cc2c(c(O)c1C(C)COC(CC(CCC)C)=O)OC(C)(C)C1C(C(C)CC1)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 432.601

CB1 binding score: -14.174

InChIKey:
LDUZPULKOZJXOW-UHFFFAOYSA-N

ID: 66078

SMILES:
Oc1cc(CCc2ccc(O)c(CC=C(C)C)c2)cc(O)c1CC=C(C)CCC=C(C)CCC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 502.739

CB1 binding score: -12.675

InChIKey:
GVFLWASVCBNFEX-UHFFFAOYSA-N

ID: 66079

SMILES:
C=Cc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 270.372

CB1 binding score: -18.09

InChIKey:
MOGXJOHEBSGEPO-UHFFFAOYSA-N

ID: 66080

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C=C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 66081

SMILES:
C(CC(C)=CCc1c(OC)cc(CCCCC)c(C(=O)O)c1O)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -19.037

InChIKey:
VAFRUJRAAHLCFZ-UHFFFAOYSA-N

ID: 66082

SMILES:
C1C(C)CCC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -20.541

InChIKey:
XKRHRBJLCLXSGE-UHFFFAOYSA-N

ID: 66083

SMILES:
C(=O)(c1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C1CC1C(C)=CCCC1(C)C)C=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.62

CB1 binding score: -14.86

InChIKey:
QBPIEQDRJMJUTE-UHFFFAOYSA-N

ID: 66084

SMILES:
O1C(CC(=CCc2c(O)c(C)cc(O)c2)C)C=C(C)CCC1C(CCCC(C)C)(OC)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 444.656

CB1 binding score: -12.769

InChIKey:
DMHQYYGDMAGJEA-UHFFFAOYSA-N

ID: 66085

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2=C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -20.728

InChIKey:
RECLSNODOVFMMU-UHFFFAOYSA-N

ID: 66086

SMILES:
C12(CCOC1=O)Oc1c3c(cc(CCCC)c1)OC(C)(C)C1C3C(CC2)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.461

CB1 binding score: -14.55

InChIKey:
PRFSUUQNOQWUGN-UHFFFAOYSA-N

ID: 66087

SMILES:
C1CC2(C)CC3c4c(cc(CCCCC)c(O)c4O2)OC(C)(C)C13

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -13.551

InChIKey:
SQEMMOUNLKRUDJ-UHFFFAOYSA-N

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66067–66087 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