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Molecule Identifiers
Molecular Properties

ID: 129088

SMILES:
CCNC(=O)c1cc(O)c(C2C(C(C)=C)CCC(C)=C2)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 315.413

CB1 binding score: -14.405

InChIKey:
RUKMRIZOGOOXRF-UHFFFAOYSA-N

ID: 129089

SMILES:
c1c(C2C(C(C)=C)CCC(C)=C2)c(O)ccc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 228.335

CB1 binding score: -18.767

InChIKey:
FFUBTKRHDZNPRU-UHFFFAOYSA-N

ID: 129090

SMILES:
C(C1=C(C(C)=C)C(c2c(O)ccc(CC)c2O)CC(CC=C(C)C)O1)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -14.915

InChIKey:
AWXYBJSAXMCTEV-UHFFFAOYSA-N

ID: 129091

SMILES:
c1(O)cc(CCCCCO)cc2c1C1C=C(CO)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -18.31

InChIKey:
GIKVPUJCRCQWMS-UHFFFAOYSA-N

ID: 129092

SMILES:
CC(OC(c1cc(OC(C)=O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1)=O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.461

CB1 binding score: -15.631

InChIKey:
BHLKPNHIERHABR-UHFFFAOYSA-N

ID: 129093

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CC(=O)C(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.026

InChIKey:
FJVJQPVMJALOMF-UHFFFAOYSA-N

ID: 129094

SMILES:
C1(C)(C)Oc2c(c3c(cc2CCC(O)=O)cc(Cc2cc(O)c4c(c2)OC(C)(C)C=C4)c(C(CCC=C(C)C)C)c3)C2C1CCC(C)=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 648.884

CB1 binding score: -15.535

InChIKey:
INTKVIXCPHIHHL-UHFFFAOYSA-N

ID: 129095

SMILES:
O1C(CCC=C(C)C)(C)C=Cc2c(O)cc(CCCCC)cc21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 129096

SMILES:
CC1(C)Oc2c(c(O)cc(CCCN)c2C(=O)O)C2CC(C)=CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 345.439

CB1 binding score: -13.832

InChIKey:
BQUYZRMKTRMVNW-UHFFFAOYSA-N

ID: 129097

SMILES:
C12(C)CCC(C)=CC1Oc1c(O)cc(CCCCC)cc1O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -15.059

InChIKey:
CRKXDRBZYLYDHJ-UHFFFAOYSA-N

ID: 129098

SMILES:
c1(C2C(C(=C)C)CCC(C)=C2)c(O)cc(CCCCC)cc1O[N+](O)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.474

CB1 binding score: -15.717

InChIKey:
ISRGFWCZIRCJRK-UHFFFAOYSA-O

ID: 129099

SMILES:
O=C(CC(C)C)c1c(C2C=C(C)CCC2C(C)=C)c(O)cc(O)c1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -12.258

InChIKey:
NFTAGYZTJOFZLT-UHFFFAOYSA-N

ID: 129100

SMILES:
C(CC=C(C)C)C1(C)C2CCC(C)=CC2c2c(O)cc(CCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.534

CB1 binding score: -17.11

InChIKey:
YGCGUHHJEYUEEA-UHFFFAOYSA-N

ID: 129101

SMILES:
O1c2c(C(O)=O)c(CCCCC)cc(O)c2C2C1C(=C)CCC2C(CCC=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.597

CB1 binding score: -12.201

InChIKey:
QYGAUYSRVCOYJU-UHFFFAOYSA-N

ID: 129102

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.447

CB1 binding score: -19.319

InChIKey:
VNFNICPIQJPBJY-UHFFFAOYSA-N

ID: 129103

SMILES:
C1C(C)=CC2C(=C1)c1c(cc(CCCCC)cc1O)OC(C)(C)C2CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.626

CB1 binding score: -15.838

InChIKey:
MAPAGQBNKYNVJM-UHFFFAOYSA-N

ID: 129104

SMILES:
CC1(CCC=C(C)C)Oc2cc(C)cc(OC)c2C=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.372

InChIKey:
VRVBUCRQGHWYCT-UHFFFAOYSA-N

ID: 129105

SMILES:
C(Cc1cc(O)cc2c1OC(C)(C)C1CCC(C)=CC12)=C(C)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -15.288

InChIKey:
ROCOBAKBNFRUJP-UHFFFAOYSA-N

ID: 129106

SMILES:
C(CCc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.175

InChIKey:
RVWTXSLOGRTPEH-UHFFFAOYSA-N

ID: 129107

SMILES:
CC1(C)C2CCC(C)C=C2c2c(ccc(CCCCC)c2)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -14.494

InChIKey:
PSVZBQCBUGHBBN-UHFFFAOYSA-N

ID: 129108

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 264.365

CB1 binding score: -19.442

InChIKey:
FRBSLGKYEBNHLH-UHFFFAOYSA-N

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129088–129108 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