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Molecule Identifiers
Molecular Properties

ID: 132490

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -18.686

InChIKey:
JXLOXQRGEOZDJN-UHFFFAOYSA-N

ID: 132491

SMILES:
C(c1cc(O)cc2c1OC(C)(C)C1CCC(C)=CC12)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -16.875

InChIKey:
PFDCBICMWBRLAZ-UHFFFAOYSA-N

ID: 132492

SMILES:
CC1(C)Oc2cc(CCCCC)cc(OC)c2C2C1C(=C)CCC2C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -14.908

InChIKey:
PADCNPCZYOORIQ-UHFFFAOYSA-N

ID: 132493

SMILES:
O(C(CC(C)CCC=C(C)C)=O)Cc1cc2c(o1)C1C(C=C2C)C(C(C)=C)C2c3c(O)cc(CCCCC)cc3OC(C)(C)C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 614.867

CB1 binding score: -15.116

InChIKey:
NCFNMOJZYAXRTK-UHFFFAOYSA-N

ID: 132494

SMILES:
O1c2c(c(CCCC)cc(O)c2C2C=C(C)CCC2C(C)=C)c(O)c2c1=C[N]2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 378.492

CB1 binding score: -12.808

InChIKey:
SEWSYJDFTCTDEC-UHFFFAOYSA-N

ID: 132495

SMILES:
CC1(C)C=Cc2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -20.081

InChIKey:
XLSYFQOJMWXOCT-UHFFFAOYSA-N

ID: 132496

SMILES:
OS(Oc1c(OC(=O)C)cc(CCCCC)cc1O)C=C(C)CCC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.576

CB1 binding score: Not available

InChIKey:
XAMRGQUVUBKGMP-UHFFFAOYSA-N

ID: 132497

SMILES:
CC1(C)Oc2c(C(=O)C(C)C)c(O)cc(OC)c2C2C1CC=C(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -17.218

InChIKey:
MCVVQEJULGVJSH-UHFFFAOYSA-N

ID: 132498

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 132499

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.529

CB1 binding score: -14.738

InChIKey:
SJHIQMMFHICMIH-UHFFFAOYSA-N

ID: 132500

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -18.009

InChIKey:
AHNDOCSOZYPQHA-UHFFFAOYSA-N

ID: 132501

SMILES:
C1C2(C)C(C)Oc3cc(CCCCC)cc(O)c3C2C(C(C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -12.418

InChIKey:
DHKBXLGDFCQYTE-UHFFFAOYSA-N

ID: 132502

SMILES:
C(C)(=C)C1CCC(C)=CC1c1c(O)cc(CCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.854

InChIKey:
OZYYEDPTJXVZJQ-UHFFFAOYSA-N

ID: 132503

SMILES:
C(CC1(C)OOC(C(C)C(O)=O)CC1)c1c(O)cc(CCC)cc1OC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.454

CB1 binding score: -13.888

InChIKey:
QNJPAXKBLYESOP-UHFFFAOYSA-N

ID: 132504

SMILES:
C(C)(C)=CCCC(=CCc1c(O)cc(CCC(O)=O)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 318.413

CB1 binding score: -18.016

InChIKey:
OVJKPQKAIHSVBC-UHFFFAOYSA-N

ID: 132505

SMILES:
C(CCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 132506

SMILES:
Oc1c(C2C(C(C)=C)CCC(C)=C2)c(O)cc(C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.979

InChIKey:
GKVOVXWEBSQJPA-UHFFFAOYSA-N

ID: 132507

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -21.398

InChIKey:
WPVARKYNWHKQMW-UHFFFAOYSA-N

ID: 132508

SMILES:
c1(CCOCOCC2C(O)C(O)C(O)C(Oc3c(OC)c4c(cc3CC=C(C)C)OC(C)(C)C3CCC(C)=CC34)OC2)cc(O)ccc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 684.823

CB1 binding score: -15.706

InChIKey:
ZTJHUOVEEOJKNX-UHFFFAOYSA-N

ID: 132509

SMILES:
CC1(C)Oc2cc(CCCC)cc(O)c2C=CC(C)(O)CC(=O)C=C(C)CCC1OC(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 458.595

CB1 binding score: -16.353

InChIKey:
YPERDCBABXLUTP-UHFFFAOYSA-N

ID: 132510

SMILES:
c1(C2C(C(O)(C)C)CCC(C)=C2)c(OC)cc(O)c(CC=C(C)CCC=C(C)C)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.613

CB1 binding score: -13.965

InChIKey:
LXQMAGUAGIWTKN-UHFFFAOYSA-N

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132490–132510 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