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Molecule Identifiers
Molecular Properties

ID: 126610

SMILES:
c1(C2=C(CC(C)(C)O)CCC2C)cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -14.704

InChIKey:
CATWVRIJQFPGHA-UHFFFAOYSA-N

ID: 126611

SMILES:
C12C(c3c(cc(OCc4cocc4)cc3OC)OC1(C)C)CCC1(C)C2OOC1(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.525

CB1 binding score: -14.499

InChIKey:
SHBNFUFSQFFWCJ-UHFFFAOYSA-N

ID: 126612

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)(O2)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -13.39

InChIKey:
IOQZBCIXYSYKNX-UHFFFAOYSA-N

ID: 126613

SMILES:
CC(C)=CC(OC=C(C)C1C(OC(C)=O)CC2(C)Oc3c(cc(CCCCC)cc3OC)CC2C1=O)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 512.643

CB1 binding score: -13.234

InChIKey:
OXKPRHGCUZXXKA-UHFFFAOYSA-N

ID: 126614

SMILES:
C(OC(=N)C)(=O)C1C(c2c(OC)cc(CCCCC)cc2OC)C=C(C=CC2=C(C)CCCC2(C)C)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 521.698

CB1 binding score: -13.352

InChIKey:
OHOLXLLDFAEJRV-UHFFFAOYSA-N

ID: 126615

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.501

CB1 binding score: -21.078

InChIKey:
LXIXAVCVBZBXIY-UHFFFAOYSA-N

ID: 126616

SMILES:
COC12c3c(O)cc(CCCCC)cc3OC(C)(C)C1C(=O)CC(C)(O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.493

CB1 binding score: -12.019

InChIKey:
XPEJYNGEKNTGJN-UHFFFAOYSA-N

ID: 126617

SMILES:
Oc1cc(CCc2cc(CC=C(C)C)c(O)cc2)cc(O)c1CC=C(C)CCC=C(CCC=C(C)C(OC)=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 546.748

CB1 binding score: -16.034

InChIKey:
AJLFXAYPMQBRLB-UHFFFAOYSA-N

ID: 126618

SMILES:
c1(OC)c(OC)cc(C)c2c1C1CC(C)=CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -15.146

InChIKey:
OFROADHDMHQJAC-UHFFFAOYSA-N

ID: 126619

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.585

InChIKey:
DNTBFILTGOCICF-UHFFFAOYSA-N

ID: 126620

SMILES:
C(c1c(O)c(CC=C(C)CCC(O)C(C)(C)O)c2c(c1)OC(C)(C)C(O)CC2)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 448.644

CB1 binding score: -15.275

InChIKey:
QKOHKIOEDHRVDP-UHFFFAOYSA-N

ID: 126621

SMILES:
Oc1c(O)c2c(cc1CCCCC)OC(C)(C)C1CCC(C)(O)C=C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -15.769

InChIKey:
MIKQKXGDUULZPC-UHFFFAOYSA-N

ID: 126622

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C1CC(O)C(C=O)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -17.956

InChIKey:
KZZGLSUGCLMLNA-UHFFFAOYSA-N

ID: 126623

SMILES:
CC1(C)Oc2cc(CCCC)cc(O)c2C2CC(C)=CCC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.175

InChIKey:
RVWTXSLOGRTPEH-UHFFFAOYSA-N

ID: 126624

SMILES:
Oc1cc2c(c(O)c1Cl)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 294.778

CB1 binding score: -17.696

InChIKey:
YGRDDZZMCNHEQY-UHFFFAOYSA-N

ID: 126625

SMILES:
c1(CCCCCC)cc2c(c(O)c1)C1C=C(CCC=C(C)CC2)C(=O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.49

CB1 binding score: -15.326

InChIKey:
MTHFLCGWFXOSIV-UHFFFAOYSA-N

ID: 126626

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -14.564

InChIKey:
DLURLOIBGWJNCS-UHFFFAOYSA-N

ID: 126627

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 126628

SMILES:
c12c(O)c(OC(=O)C)c(CCCCC)cc1OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -16.391

InChIKey:
OTJZOKCYEUGKBJ-UHFFFAOYSA-N

ID: 126629

SMILES:
C(c1c(O)c2c(cc1C(O)(C)C)C(C)=C(C)CC2)CCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -16.108

InChIKey:
GZCIXFBMEHPPDU-UHFFFAOYSA-N

ID: 126630

SMILES:
C1CC(C)(O)C2C1(c1c(O)cc(CCCCC)cc1O)CC(C)(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -16.012

InChIKey:
ITBWVXOPFFFLCQ-UHFFFAOYSA-N

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126610–126630 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