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Molecule Identifiers
Molecular Properties

ID: 128521

SMILES:
CC(C)=CCc1c(O)c(C(=O)CCCCC)cc(O)c1C1C=C(C)C2C(CC1C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.57

CB1 binding score: -14.56

InChIKey:
FVZYQZIYFKGPEC-UHFFFAOYSA-N

ID: 128522

SMILES:
CC1(C)Oc2cc(CCC)oc2C2C=C(C)CCC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.377

CB1 binding score: -15.62

InChIKey:
AEQWXTWLPXZQSF-UHFFFAOYSA-N

ID: 128523

SMILES:
C1C2(C)Oc3c(c(O)cc(CCCCC)c3)C2CC(C(O)(C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -19.428

InChIKey:
RMGLMIJXAXQQNY-UHFFFAOYSA-N

ID: 128524

SMILES:
C12C(C=C(C)CC1)c1ccc(C)cc1OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -19.037

InChIKey:
TWNNHTGNOPUEHO-UHFFFAOYSA-N

ID: 128525

SMILES:
C12=C(C)CCC13C(C)CC(CC(C)(C)O)Oc1c(c(O)cc(CCCCC)c1)C3C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -15.929

InChIKey:
IYJPAYIONXGEKU-UHFFFAOYSA-N

ID: 128526

SMILES:
CC(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC(C)=O)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -17.989

InChIKey:
ZTZGBEZKXBIYDU-UHFFFAOYSA-N

ID: 128527

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.572

CB1 binding score: -13.437

InChIKey:
DBIPCWWKZXXQSF-UHFFFAOYSA-N

ID: 128528

SMILES:
C(CCc1cc2c(c(O)c1)C1CCC(C)C1C(=O)OC2(C)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -14.154

InChIKey:
IOEKQWIHBRAYTL-UHFFFAOYSA-N

ID: 128529

SMILES:
c12c(O)cc(-c3cc4c(cc3O)OC(CCC=C(CCC=C(C)C)C)(C)CC4)cc1OC(C)(C)C1CCC(C=O)=CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 570.77

CB1 binding score: -11.858

InChIKey:
ZZKWJQDUOCDZQJ-UHFFFAOYSA-N

ID: 128530

SMILES:
C(Cc1cc2c(c(O)c1)C1C3C(CCC=C(C)C)(C)C(C)OC(=O)C31O2)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.516

CB1 binding score: -15.016

InChIKey:
UFJLKVBNUYPLDB-UHFFFAOYSA-N

ID: 128531

SMILES:
CC1=CC(c2cccc(O)c2)C(C(=C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 228.335

CB1 binding score: -18.81

InChIKey:
RLNFSWIFLYYPPU-UHFFFAOYSA-N

ID: 128532

SMILES:
c1(C)c(C(=O)OC)c(OCC2(C)C(C)Oc3cc(CCCCC)cc(O)c3C2)ccc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.553

CB1 binding score: -15.519

InChIKey:
ZYHKQDZTILJKKT-UHFFFAOYSA-N

ID: 128533

SMILES:
c12c(O)c(C(=O)O)c(C)cc1OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -19.064

InChIKey:
BWFHYGJGKLAXKO-UHFFFAOYSA-N

ID: 128534

SMILES:
c1c(O)ccc2c1OC(C)(C)C1CC=C(C)C1C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -16.13

InChIKey:
FWPFEBSJGYQNLT-UHFFFAOYSA-N

ID: 128535

SMILES:
C(CCCC)c1cc(O)c(O)c2c1OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.388

InChIKey:
HBNKKKSWEWQCJU-UHFFFAOYSA-N

ID: 128536

SMILES:
C(C)CCCc1cc(O)c2c(c1)OC(C)(C)C1C(O)CC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.072

InChIKey:
DJCKLUPKZRLTPE-UHFFFAOYSA-N

ID: 128537

SMILES:
C1C2C(O)(C)CCC3C(C)(C)Oc4cc(CCCCCC)cc(O)c4C23C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -14.067

InChIKey:
OKFBVBLJTBMIBW-UHFFFAOYSA-N

ID: 128538

SMILES:
C1(Oc2c(O)c3c(cc2CCCCCC)OC(C)(C)C2CCC4(C)OC42CO3)OC(CO)C(O)C(O)C1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 538.634

CB1 binding score: -15.738

InChIKey:
FMXLKKIZNBLVRB-UHFFFAOYSA-N

ID: 128539

SMILES:
C1(O)(CCC(C(=O)C)C)OC(C)C(O)C1c1c2c(c(O)cc1O)C1C=C(C)CCC1C(C)(CCC=C(C)C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 542.713

CB1 binding score: -13.018

InChIKey:
AWQLFFRUZLZXEI-UHFFFAOYSA-N

ID: 128540

SMILES:
C(c1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1)(C)CCC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.534

CB1 binding score: -15.896

InChIKey:
RQWAJHRSPXWUKN-UHFFFAOYSA-N

ID: 128541

SMILES:
C(C(=O)C=O)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.381

CB1 binding score: -13.266

InChIKey:
HDRQTOPCKZKRPF-UHFFFAOYSA-N

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128521–128541 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