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Molecule Identifiers
Molecular Properties

ID: 82195

SMILES:
CCCCCCc1c(C(O)=O)c(O)cc2c1OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -15.505

InChIKey:
QUNOGHLVVDLHSN-UHFFFAOYSA-N

ID: 82196

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: 82197

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1=C2C2C3(C1=O)Oc1ccc(c(C)c12)CC3)CC(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 444.571

CB1 binding score: -16.502

InChIKey:
ZHJJDICZSMBEJC-UHFFFAOYSA-N

ID: 82198

SMILES:
C1(C=CC=C(C)C2CC(C)=CCC2)(C)Oc2c(C)cc(O)cc2C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 336.475

CB1 binding score: -16.425

InChIKey:
MZZNSWBDDUWAFG-UHFFFAOYSA-N

ID: 82199

SMILES:
O=CC1=CCC2C(C1)c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -18.255

InChIKey:
BGIBNWZALWRTHR-UHFFFAOYSA-N

ID: 82200

SMILES:
C1c2c(O)cc(CCCCC)cc2OC(C)(C)C1=CC=C(C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -16.625

InChIKey:
BYMQCAKKRCRSDN-UHFFFAOYSA-N

ID: 82201

SMILES:
CC(CCCc1cc2c(c(O)c1)C1C(C(O)(C)CCC1C(C)=C)O2)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -14.412

InChIKey:
YHZDVYYNMYUNEC-UHFFFAOYSA-N

ID: 82202

SMILES:
C(CCC)Cc1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(C)(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.841

InChIKey:
UKPNRAMYBFBWKV-UHFFFAOYSA-N

ID: 82203

SMILES:
CC(=CC1C2C(Oc3c(c(O)cc(CCCCC)c3)C2c2ccccc2)CCC1C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.621

CB1 binding score: -15.155

InChIKey:
UQURLNZRCNDIIQ-UHFFFAOYSA-N

ID: 82204

SMILES:
CC1=CCCC(=C)C2C(CC1)C(C)(C)Oc1c2c(O)cc(C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -17.103

InChIKey:
CQGIDMUKNMQXCY-UHFFFAOYSA-N

ID: 82205

SMILES:
c1(O)c2cc(c(O)c1)CC1CC(O)C(C)=CC(C)(CCC=C(C)CCC=C(C)C)OC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.597

CB1 binding score: -14.044

InChIKey:
HANNKRWXWPYSBP-UHFFFAOYSA-N

ID: 82206

SMILES:
C1C2(OC2(C)C)CC2c3c(O)cc(CCCCC)cc3OC12C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -16.066

InChIKey:
LBEMXRHHZXCAPJ-UHFFFAOYSA-N

ID: 82207

SMILES:
C1(C)=CC2C(C(O)CC1)C(C)(C)OC(C)=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 222.328

CB1 binding score: -13.702

InChIKey:
GQOHVRHNISSPKG-UHFFFAOYSA-N

ID: 82208

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -13.433

InChIKey:
SGEHJKUYVWEVSR-UHFFFAOYSA-N

ID: 82209

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 82210

SMILES:
COc1c(O)c2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.359

CB1 binding score: -17.033

InChIKey:
MOIBWKZZIIDVBX-UHFFFAOYSA-N

ID: 82211

SMILES:
C(CCCc1cc2c(c(O)c1)C1C(C(C)(O)C)CCC(C)(C2)O1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -16.813

InChIKey:
DCJGMCJLEWKZAK-UHFFFAOYSA-N

ID: 82212

SMILES:
c1(CC=C(C)C(O)CC=C(C)C)ccc(O)c(C2C=C(C)CCC2C(C)=C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.572

CB1 binding score: -14.693

InChIKey:
VRFHUOKCSNUIHH-UHFFFAOYSA-N

ID: 82213

SMILES:
C1(C(C)C)C(c2cc(CCCCC)ccc2)C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids;Sesquiterpenoids

Class: Cadinane sesquiterpenoids;Cannabinoids

MW: 284.487

CB1 binding score: -16.438

InChIKey:
FZKDNZVILILJLN-UHFFFAOYSA-N

ID: 82214

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C(C)(CCCC2(C)C)C1C(C=C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -15.385

InChIKey:
NYUFGIYGHAIUIJ-UHFFFAOYSA-N

ID: 82215

SMILES:
Oc1cc2c(cc1CCCCCCCC)OC(C)(C)C1C2C(O)C(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -14.927

InChIKey:
VPSSZMKFBMWZLI-UHFFFAOYSA-N

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82195–82215 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