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Molecule Identifiers
Molecular Properties

ID: 24193

SMILES:
CCC(C(c1ccccc1)OCC=C1CCC(C)C1(C)C)(c1cc(OC)c(OC)c(OC)c1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 466.662

CB1 binding score: -15.29

InChIKey:
YHWCNHGINARHRB-UHFFFAOYSA-N

ID: 24194

SMILES:
C(C=C(CCC=C(CCC=C(C)C)C(O)=O)C)c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.586

CB1 binding score: -17.004

InChIKey:
RMPQXUPEZIOCPJ-UHFFFAOYSA-N

ID: 24195

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C(OC(C)=O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.402

CB1 binding score: -16.872

InChIKey:
LILVZBSIHBDNJN-UHFFFAOYSA-N

ID: 24196

SMILES:
C1(C(C)C)C2(O)CCC3(C)Oc4c(c(O)cc(CCC)c4)C(C13)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -14.951

InChIKey:
ICWLXRYWUCRWTE-UHFFFAOYSA-N

ID: 24197

SMILES:
Oc1c(C(O)=O)c(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(=C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -17.947

InChIKey:
PQRKLJRMTUJOOO-UHFFFAOYSA-N

ID: 24198

SMILES:
C1(=O)c2c(cc(CCCCC)cc2O)OC(C)(C)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.349

CB1 binding score: -18.915

InChIKey:
QGXPGVCOVFFYDF-UHFFFAOYSA-N

ID: 24199

SMILES:
C1CCC(C)(C)C2C(C)C(C)(Oc3cc(CCCCC)cc(O)c32)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.539

CB1 binding score: -14.791

InChIKey:
DTINOWCWFMVISC-UHFFFAOYSA-N

ID: 24200

SMILES:
CC(C)C1C(c2c(O)ccc(CCCCC)c2)C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids;Sesquiterpenoids

Class: Cadinane sesquiterpenoids;Cannabinoids

MW: 300.486

CB1 binding score: -18.255

InChIKey:
FVMNSBXLYRKHTD-UHFFFAOYSA-N

ID: 24201

SMILES:
C(C)CCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 24202

SMILES:
CC(C)=CCCC(=CCCC(C)=CCc1c(O)cc(CCc2ccccc2)cc1O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.621

CB1 binding score: -19.13

InChIKey:
IWSASXREQYAISF-UHFFFAOYSA-N

ID: 24203

SMILES:
C1CCC(C(C)C)=C(c2c(O)cc(CCC)cc2O)CC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -14.687

InChIKey:
LILYVAFEQDXNPD-UHFFFAOYSA-N

ID: 24204

SMILES:
C(CCCc1cc(O)c2c(c1OC)OC(C)(C)C1CCC(C)=CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -17.068

InChIKey:
STNBJEFTZUCAKW-UHFFFAOYSA-N

ID: 24205

SMILES:
C12C(C(C)(C)Oc3cc(CCCCC)cc(O)c31)C=C(C(C)C)CCC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -14.981

InChIKey:
WPDDZZFBSKWNMP-UHFFFAOYSA-N

ID: 24206

SMILES:
C12CC(C(C)=CCC=C(C)CCC=C(C)C)C1CCC2(C)C#Cc1c(O)cc(CCCCC)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 472.757

CB1 binding score: -10.383

InChIKey:
JFAXDSHGTQJIHC-UHFFFAOYSA-N

ID: 24207

SMILES:
C(CC=C(C)CCC=C(C)C)C1(C)Oc2cc(O)cc(CCc3ccccc3)c2C=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.605

CB1 binding score: -16.249

InChIKey:
TXMYEDJHWKQYGS-UHFFFAOYSA-N

ID: 24208

SMILES:
CC1(C)C2C(C)(CC(O)C1)Oc1c(c(O)cc(CCCCC)c1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -16.906

InChIKey:
DLZOIILMDQLHIN-UHFFFAOYSA-N

ID: 24209

SMILES:
C1(C)CCC(C(C)C)C(c2c(O)cc(CCCCC)cc2OC)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.527

CB1 binding score: -15.548

InChIKey:
QQQKZJHZMHFSOL-UHFFFAOYSA-N

ID: 24210

SMILES:
O(C1OC(CO)C(O)C(O)C1O)c1c(CCCC)cc2c(c1O)C1CC(C)(O2)CCC1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 478.582

CB1 binding score: -14.094

InChIKey:
XOCHRMCVTAGYQU-UHFFFAOYSA-N

ID: 24211

SMILES:
c1(O)cc(CCCC)cc2c1-c1c(ccc(C)c1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 296.41

CB1 binding score: -19.327

InChIKey:
GGVVJZIANMUEJO-UHFFFAOYSA-N

ID: 24212

SMILES:
C1(=O)C2(c3c(cc(CCCCC)cc3O)OC2(C)C)C2C(=C)CCC3C(C)(CCC4C13CO4)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 466.618

CB1 binding score: -14.033

InChIKey:
JRQVULAQFQEPIU-UHFFFAOYSA-N

ID: 24213

SMILES:
CC1(C)C2=C(c3c(cc(CCCCC)cc3O)O1)C(=O)C(C)=CC2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.419

CB1 binding score: -16.934

InChIKey:
RBOFETJAAOBFKI-UHFFFAOYSA-N

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24193–24213 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