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Molecule Identifiers
Molecular Properties

ID: 139147

SMILES:
C(C)(C)(O)CCCC(C1CCC(C)=CC1c1cc(C(O)=O)c(C)cc1O)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -13.314

InChIKey:
BIVLOAPKEQGPSQ-UHFFFAOYSA-N

ID: 139148

SMILES:
c1(CC2C(C)(C(O)C)CCC(=C2C)CC(O)C2=CC(=O)CCC2=O)cc(O)cc(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.525

CB1 binding score: -15.733

InChIKey:
AWZIFAWNCGJWBM-UHFFFAOYSA-N

ID: 139149

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2CC(C1=C)OC2(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -14.332

InChIKey:
OQCQAXVCKGJGEB-UHFFFAOYSA-N

ID: 139150

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)CCCCCCCCO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.63

CB1 binding score: -16.032

InChIKey:
CSFSVVJMAFNUJD-UHFFFAOYSA-N

ID: 139151

SMILES:
c1(C2CC=C(C)C(O)CC3C4C(C)(C)C4CCC3(C)O2)c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.64

CB1 binding score: -14.073

InChIKey:
DODSWIVXCHASSY-UHFFFAOYSA-N

ID: 139152

SMILES:
O(C(=O)C)CCCC(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(CO)=CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -14.279

InChIKey:
CNPYATWLUUEDRC-UHFFFAOYSA-N

ID: 139153

SMILES:
CC(C1=CC(=O)C(C)=CC1c1c(O)cc(CCC)cc1O)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -17.126

InChIKey:
XJSOPFUECQGOGR-UHFFFAOYSA-N

ID: 139154

SMILES:
c1(CC(=O)C)c(O)c(C2C=C(C)CCC2C(C)=C)c(O)c2c1O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.381

CB1 binding score: -14.626

InChIKey:
BBCFHYFOFABNTF-UHFFFAOYSA-N

ID: 139155

SMILES:
CC(C)(O)C1(O)CC(O)C2(C)Oc3cc(CCCCC)cc(O)c3C1C2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.481

CB1 binding score: -15.272

InChIKey:
QMMUGMMLDYWWMS-UHFFFAOYSA-N

ID: 139156

SMILES:
CCCCC(=O)c1c(O)c(C2C=C(C)CCC2C(C)=C)cc2c1C(=O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.527

CB1 binding score: -12.645

InChIKey:
AVGGUZMVBGUBBV-UHFFFAOYSA-N

ID: 139157

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)CCCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -18.531

InChIKey:
QHXOCZYXQWUAQM-UHFFFAOYSA-N

ID: 139158

SMILES:
c12c(cc(CCCCC)cc1O)C1(C)CCCC(C)(C)C1CC=C2COC(C)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -11.282

InChIKey:
SPCDHYIGKRHADB-UHFFFAOYSA-N

ID: 139159

SMILES:
C1CC2(C)Oc3cc(CCCCC)cc(O)c3C3CC(C(=O)OC)=CC=C1C2O3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.499

CB1 binding score: -16.444

InChIKey:
CJNGCGZHOARUGU-UHFFFAOYSA-N

ID: 139160

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 478.582

CB1 binding score: -14.336

InChIKey:
OLMNZQQEOBQJND-UHFFFAOYSA-N

ID: 139161

SMILES:
OC(CC(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)CC=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -14.605

InChIKey:
MOFYZENTNQRMDQ-UHFFFAOYSA-N

ID: 139162

SMILES:
CC1(C)C2C(c3c(cc(CCCCC)cc3O)Oc3c(C)cc4c(c3O2)CC(=C(C)C)C(C)(C)C4=O)CCC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 530.749

CB1 binding score: -14.11

InChIKey:
NDLTZTMNDWIOIA-UHFFFAOYSA-N

ID: 139163

SMILES:
C(CC(C)=CCc1c(O)cc(CCCCC)cc1O)C1C(C)(C)C(OC=O)CCC1=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.613

CB1 binding score: -13.88

InChIKey:
OUABPDXTUUJNCP-UHFFFAOYSA-N

ID: 139164

SMILES:
c1c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)cc1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.979

InChIKey:
GKVOVXWEBSQJPA-UHFFFAOYSA-N

ID: 139165

SMILES:
c1(OC)cc2c(cc1Br)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 337.257

CB1 binding score: -15.302

InChIKey:
MKKCXHMRFCRIHD-UHFFFAOYSA-N

ID: 139166

SMILES:
Oc1c(CC=C(C)C)c(O)cc(CCCCC)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -20.5

InChIKey:
YVUPWYODRDEDFU-UHFFFAOYSA-N

ID: 139167

SMILES:
COC(=O)C1=Cc2c(cc(CCCCC)cc2O)OC1(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.386

CB1 binding score: -15.31

InChIKey:
NKLILKOULSSBPC-UHFFFAOYSA-N

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139147–139167 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