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Molecule Identifiers
Molecular Properties

ID: 59221

SMILES:
C1=C(C)CCC2C(C)(C)Oc3c(c(OC4OC(CO)C(O)C(O)C4O)c(C(C)C)cc3O)C12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 464.555

CB1 binding score: Not available

InChIKey:
FSPDECVBHDZTDR-UHFFFAOYSA-N

ID: 59222

SMILES:
c12c(c(O)cc(CCCCC)c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.779

InChIKey:
ZSDJPGLYWNHCIW-UHFFFAOYSA-N

ID: 59223

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -17.783

InChIKey:
ZTRNDLFRVJBYME-UHFFFAOYSA-N

ID: 59224

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C(C)c1c-2cc(O)c(C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.49

CB1 binding score: -16.254

InChIKey:
IARPCVDGDRIIAV-UHFFFAOYSA-N

ID: 59225

SMILES:
C1C=C(C)CC=CC(C)(C)Oc2c1c(CC=C(C)C)c(CC=C(C)C)c(C)c2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 378.6

CB1 binding score: -15.859

InChIKey:
VBJMCFRUCPEERG-UHFFFAOYSA-N

ID: 59226

SMILES:
C1(C)=CCC2C(C)(C)Oc3c(c(O)cc(C(C)C(OC(C)=O)C(C)=CC)c3O)C(C2CC1)OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 472.622

CB1 binding score: -18.246

InChIKey:
JCGXHJMBIJGKCN-UHFFFAOYSA-N

ID: 59227

SMILES:
C(C)CCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(=C)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.502

InChIKey:
HDNJNVPZXVJOMB-UHFFFAOYSA-N

ID: 59228

SMILES:
C(CCCc1cc(O)c(CC=C(CCC=C(C)C)C)c(OC)c1)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.566

CB1 binding score: -16.887

InChIKey:
REIUQFVXUSRKRC-UHFFFAOYSA-N

ID: 59229

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2=C(C(C)CCC2C(C)C)C(=O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -14.002

InChIKey:
OAFNNHYEARFNNZ-UHFFFAOYSA-N

ID: 59230

SMILES:
c1(OC)c(O)c2c(cc1CCc1ccccc1)OC(C)(C)C1C2CC(C)(O)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.527

CB1 binding score: -15.929

InChIKey:
VASVKZQRWORCID-UHFFFAOYSA-N

ID: 59231

SMILES:
c12cc(C)ccc1C(C)(C)Oc1c-2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 59232

SMILES:
C(C=C(C)CCC=C(C)C)c1cc(CCc2ccccc2)c2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 468.725

CB1 binding score: -14.055

InChIKey:
OVQHGQPNGYVPNB-UHFFFAOYSA-N

ID: 59233

SMILES:
C1=C(C)C(OC(=O)C)CC2C(C)(C)Oc3cc(CCc4ccccc4)c(O)c(C=O)c3C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.532

CB1 binding score: -14.226

InChIKey:
XSKHIWDTFMSFBB-UHFFFAOYSA-N

ID: 59234

SMILES:
C1CC(C(C)C)C(c2c(OC)ccc(CCCCC)c2)C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.513

CB1 binding score: -17.104

InChIKey:
KCNKFEKQAPWBKX-UHFFFAOYSA-N

ID: 59235

SMILES:
O1C(C)(C)C2CCC(C)=CC2c2c(O)cc(O)cc21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -19.859

InChIKey:
WRBRAMOWKIFTPD-UHFFFAOYSA-N

ID: 59236

SMILES:
O(C(C)=O)C(C)(C)C1Oc2cc(CCCCC)cc(OC)c2C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.429

CB1 binding score: -15.065

InChIKey:
BUDHJZNLHISADU-UHFFFAOYSA-N

ID: 59237

SMILES:
OC1(Oc2cc(CCCCC)cc(O)c2OC)CC(C)(O)CCC1C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.525

CB1 binding score: -15.981

InChIKey:
XGQMYXZCUBPQIA-UHFFFAOYSA-N

ID: 59238

SMILES:
C1C(C)C2=C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.753

InChIKey:
OAHHZUDLEHBUGH-UHFFFAOYSA-N

ID: 59239

SMILES:
C(C1(C)C2C(c3c(cc(CCCCC)cc3O)O1)C1OC(=O)C(=C)C1CC2)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.472

CB1 binding score: Not available

InChIKey:
CCSBBYBZGFMUQU-UHFFFAOYSA-N

ID: 59240

SMILES:
C(Cc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -18.037

InChIKey:
WUDZOFOMCJWPRV-UHFFFAOYSA-N

ID: 59241

SMILES:
c12cc(OC)c3c(c1CC(C)(C)O2)C=CC(C)(CC=CC(C)(C)O)O3

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -12.527

InChIKey:
GAVSRAFKLSKJNF-UHFFFAOYSA-N

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Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties