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Molecule Identifiers
Molecular Properties

ID: 140134

SMILES:
O(C(C)=O)C1CC(C(C)=C)C(c2cc(CCCC(C)C)c(OCCC)cc2)C=C1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -12.011

InChIKey:
GJZCBLDJZGHHOI-UHFFFAOYSA-N

ID: 140135

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -20.128

InChIKey:
YOJPFISTURZHJT-UHFFFAOYSA-N

ID: 140136

SMILES:
CC1(C)CC2c3c(O)cc(CCCCC)cc3OC2(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -17.984

InChIKey:
JBEHHYUQTNIXGO-UHFFFAOYSA-N

ID: 140137

SMILES:
c1(O)c(CC=C(C)C)c2c(c(OC)c1)C1CC(=C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -9.445

InChIKey:
YHPOHAMFZLROJD-UHFFFAOYSA-N

ID: 140138

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -20.128

InChIKey:
YOJPFISTURZHJT-UHFFFAOYSA-N

ID: 140139

SMILES:
C(C(C)(C)Oc1cc(CCCCC)cc2c1-c1c(c(OC)c(O)cc1)CC2C(C)(C)O)C=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 480.689

CB1 binding score: -16.346

InChIKey:
XRVBPQSRJZSMTP-UHFFFAOYSA-N

ID: 140140

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: 140141

SMILES:
CC(C1CCC2(C)CC(O)CC3(C)Oc4cc(CCCCC)cc(O)c4C123)(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.575

CB1 binding score: -13.406

InChIKey:
WCWPBPSVJGWZPX-UHFFFAOYSA-N

ID: 140142

SMILES:
Oc1c(C2C=C(CO)CCC2C(=C)C)c(OC)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -17.805

InChIKey:
SBZKIVMNPRPVBR-UHFFFAOYSA-N

ID: 140143

SMILES:
O1c2cc(CCCO)cc(O)c2C2C=C(C(=O)OC)CCC2C1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.396

CB1 binding score: -14.733

InChIKey:
BWKYFROAIHLOCO-UHFFFAOYSA-N

ID: 140144

SMILES:
c12c(cc(O)cc1O)C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -17.624

InChIKey:
ZZWZWPVQXHMOQM-UHFFFAOYSA-N

ID: 140145

SMILES:
C12C(C(C)(C)Oc3c(cc(O)c(C)c3)C1=O)CCC2C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.625

InChIKey:
SALLEXVFZVEMQJ-UHFFFAOYSA-N

ID: 140146

SMILES:
CC(C)=C1C(=O)C(OC(C)=O)C(C)(O)CC2C(C(C)CC1)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 472.622

CB1 binding score: -14.332

InChIKey:
CWOQQCSZAXRBBV-UHFFFAOYSA-N

ID: 140147

SMILES:
C1(O)CCC2(C)c3c(O)cc(CCCCC)cc3OC(C)(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -16.018

InChIKey:
GQMWQUOVZRZQRI-UHFFFAOYSA-N

ID: 140148

SMILES:
C12(O)C(CC(C)=CC1)c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.016

InChIKey:
DYJVRFKTUHQJIG-UHFFFAOYSA-N

ID: 140149

SMILES:
C12(C)Oc3cc(CCCCC)cc(O)c3C1C(C(C)=C)CCC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -15.8

InChIKey:
NGFOSZOPFLBSAN-UHFFFAOYSA-N

ID: 140150

SMILES:
c12c(c(O)cc(C)c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -20.957

InChIKey:
WIDIPARNVYRVNW-UHFFFAOYSA-N

ID: 140151

SMILES:
Oc1cc(C)c(C(O)=O)c(O)c1C1C=C(C)CCC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -18.717

InChIKey:
JEXJLYDVFFARRG-UHFFFAOYSA-N

ID: 140152

SMILES:
Oc1cc(CCCCC)cc2c1C1C=C(C)CCC1C(CCC=C(C)C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -17.852

InChIKey:
SFUFRHMPPGZMCA-UHFFFAOYSA-N

ID: 140153

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.677

InChIKey:
YWEZXUNAYVCODW-UHFFFAOYSA-N

ID: 140154

SMILES:
Clc1c(CCCCC)cc2c(c1)OC(C)(C)C1CC=C(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.915

CB1 binding score: -15.305

InChIKey:
TUBQNCGFBJZDFT-UHFFFAOYSA-N

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140134–140154 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