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Molecule Identifiers
Molecular Properties

ID: 63547

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C1C2C=C(CO)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 63548

SMILES:
C(Cc1cc(O)c(C2C(C)(O)CCC(C(C)(CCC=C(C)C)O)O2)c(O)c1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 392.536

CB1 binding score: -14.024

InChIKey:
IMYJLZMJBAKHQC-UHFFFAOYSA-N

ID: 63549

SMILES:
C(C1C2(O)C(C(C)(CCC(=CCc3c(O)c(C)cc(OC)c3)C)O1)CCC(C)=C2)(C)=CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.624

CB1 binding score: -12.097

InChIKey:
OTDQEUBNTSBHIZ-UHFFFAOYSA-N

ID: 63550

SMILES:
Oc1c(CC=C(CC)C)c(O)cc(CC(C)C2=CC(=O)C(C)(C)O2)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -13.123

InChIKey:
URVDQZJOOOOAJK-UHFFFAOYSA-N

ID: 63551

SMILES:
CC(CC(=O)c1c(C2C=C(C)CCC2C(=C)C)c(O)cc(O)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -14.239

InChIKey:
ISNCLCREBAXHQU-UHFFFAOYSA-N

ID: 63552

SMILES:
C(C)CC(c1c(C(=O)O)c(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.434

CB1 binding score: -14.853

InChIKey:
YHXREJPOCWYUMJ-UHFFFAOYSA-N

ID: 63553

SMILES:
CCCCCc1cc2c(c(O)c1)C1CC(C)(O)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -20.807

InChIKey:
KSGRDIFQZVURIF-UHFFFAOYSA-N

ID: 63554

SMILES:
c1(O)cc(CC=C)cc2c1C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.399

CB1 binding score: -18.166

InChIKey:
FGEQAFJXCIBXCD-UHFFFAOYSA-N

ID: 63555

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(OC)C(OC)(C)CC1)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.575

CB1 binding score: -14.602

InChIKey:
UVKGZZJNGZHRDS-UHFFFAOYSA-N

ID: 63556

SMILES:
c1(O)cc(CCCCC)cc2c1C1CCC(=C)C3CC(CO)(C)C3OC2=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.544

CB1 binding score: -15.386

InChIKey:
YBQLIOYBNUUKEN-UHFFFAOYSA-N

ID: 63557

SMILES:
c12c3c(c(CCCCC)cc1O)OC(C)(C)C1CC(C(=O)C)CCC(C)C23C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.543

CB1 binding score: -14.102

InChIKey:
POSPFQASKVIOHW-UHFFFAOYSA-N

ID: 63558

SMILES:
C1(C)CCC(C(C)C)C(c2c(O)ccc(CCCCC)c2)C1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.501

CB1 binding score: -15.279

InChIKey:
IJZXTPUILGKPAE-UHFFFAOYSA-N

ID: 63559

SMILES:
c12c(cc(C)c(Cc3oc4c(ccc(O)c3O)c4)c1)C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 404.506

CB1 binding score: -14.111

InChIKey:
ZHGXLGIUHAGJJQ-UHFFFAOYSA-N

ID: 63560

SMILES:
C1CC(C(C)=C)C(c2c(O)cc(CCCC)cc2O)C1C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -13.749

InChIKey:
BIINCDKLNVKAER-UHFFFAOYSA-N

ID: 63561

SMILES:
C1CC=C(C)CCC(=C(CO)C)C(c2c(O)cc(CCCCC)cc2O)C1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -13.522

InChIKey:
INLRRTNCPRCIGW-UHFFFAOYSA-N

ID: 63562

SMILES:
C1C(=O)C(C)=CCC(C)(C)C=CCC2(C)Oc3cc(CCCCC)cc(O)c3C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -16.384

InChIKey:
CUKZBRFVPXKRCQ-UHFFFAOYSA-N

ID: 63563

SMILES:
c1(O)cc2c(c(CC=C(C)CCC=C(C)C)c1)OC(C)(C)C1C2C=C(C(O)=O)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Merosesquiterpenoids

MW: 410.554

CB1 binding score: -15.25

InChIKey:
ORLCPSZCTQLDFJ-UHFFFAOYSA-N

ID: 63564

SMILES:
C(C1C=CCC2(C)Oc3c(c(O)cc(CCC)c3)C=C12)C=C(CCC=C(C)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 392.583

CB1 binding score: -15.54

InChIKey:
NLYSCQJXDHKJQC-UHFFFAOYSA-N

ID: 63565

SMILES:
C(C=C(C)C)CC(=CCc1c(O)ccc(O)c1C1C(C(=C)C)CC(O)C(C)=C1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -13.161

InChIKey:
FAPIOZCWYBGEQX-UHFFFAOYSA-N

ID: 63566

SMILES:
Oc1cc(CCCCC)cc2c1C(=O)OC(C)(CCC=C(C)CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.598

CB1 binding score: -14.887

InChIKey:
BFIGKCCHSPRMLB-UHFFFAOYSA-N

ID: 63567

SMILES:
O(C(C)=O)CC1=CC2C(C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -15.907

InChIKey:
JLSTVXSTSBOKAQ-UHFFFAOYSA-N

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63547–63567 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