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Molecule Identifiers
Molecular Properties

ID: 48616

SMILES:
c1(C2C=C(C)CCC2C(=C)C)ccccc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 228.335

CB1 binding score: -18.767

InChIKey:
FFUBTKRHDZNPRU-UHFFFAOYSA-N

ID: 48617

SMILES:
C(CCc1cc2c(c(O)c1)C1C(CCC(C=O)=C1)C(C)(C)O2)=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.463

CB1 binding score: -17.123

InChIKey:
OLYSCAIRJUTHJJ-UHFFFAOYSA-N

ID: 48618

SMILES:
Cc1c(CCCCC)cc(O)c2c1OC1C3CC(O)(C)C3C(C)(C=C1C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -15.322

InChIKey:
NVYITVXXRWTFNU-UHFFFAOYSA-N

ID: 48619

SMILES:
C(c1cc2c(c(O)c1)C1C(C(C)(C)O2)CC(O)C1(C)CCCC(=O)C)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.575

CB1 binding score: -15.929

InChIKey:
ITGBGZGSIDPXIB-UHFFFAOYSA-N

ID: 48620

SMILES:
C1=C(C)CC2C(C(C)(C)Oc3c2c(O)cc(CCCCCO)c3)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.669

InChIKey:
WMDIVYZKMBVAFJ-UHFFFAOYSA-N

ID: 48621

SMILES:
C(C(CCC=C(C)C)C)CCC(C)=CCc1cc(O)cc(C)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.162

InChIKey:
GVVUQQWWMGBFAL-UHFFFAOYSA-N

ID: 48622

SMILES:
C(CCCC)c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(C(C)=CC(C)C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.616

CB1 binding score: -15.569

InChIKey:
JKRKJJJJVZFXPE-UHFFFAOYSA-N

ID: 48623

SMILES:
C1(C)C2CC=C(C)C=C2c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.426

CB1 binding score: -16.687

InChIKey:
BINDZQYMYRVGRK-UHFFFAOYSA-N

ID: 48624

SMILES:
C(c1c(O)c2c(c(C=O)c1O)OC1(C)C3C2C(CC1)C(C)(C)O3)CCCCC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -16.069

InChIKey:
SMDGKSIEJBFTEY-UHFFFAOYSA-N

ID: 48625

SMILES:
Cc1cc(O)c2c(c1CC(C)(C)O)OC(C)(C)C1C2CC(O)(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -15.552

InChIKey:
SRWYEUKAHXCUCE-UHFFFAOYSA-N

ID: 48626

SMILES:
C12C(O)(c3c(cc(CCCCC)cc3O)O1)C(CO)(C)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.375

CB1 binding score: -13.584

InChIKey:
APDMHJJDWGZUJM-UHFFFAOYSA-N

ID: 48627

SMILES:
CC(CCC1OC1(C)C)=CCCC(C)=CCc1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 400.603

CB1 binding score: -17.033

InChIKey:
JYMMPCDPONMOLD-UHFFFAOYSA-N

ID: 48628

SMILES:
Oc1cc(CCCCC)c2c(c1)OC(C)(C)C1CC=C(C(=O)O)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -18.064

InChIKey:
JFBRREFSRNSXIO-UHFFFAOYSA-N

ID: 48629

SMILES:
C(CCCC)c1cc(O)c(C2C=C(C)CCC2C(CCC=C(C)C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -19.572

InChIKey:
KKASRYPDNSSAPZ-UHFFFAOYSA-N

ID: 48630

SMILES:
Oc1c2c(cc(CCCC)c1)OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -18.265

InChIKey:
KTPDAZGMXXWSMU-UHFFFAOYSA-N

ID: 48631

SMILES:
Oc1c(C(CC(C)C)=O)c(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -18.53

InChIKey:
NROYKMSGPAXRQS-UHFFFAOYSA-N

ID: 48632

SMILES:
CC1(C)C2C(c3c(O)cc(CCCCC)cc3O1)CC1(C)CCC(O)C(C)C1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -14.274

InChIKey:
DLQABCNZDIMOHU-UHFFFAOYSA-N

ID: 48633

SMILES:
C12C(c3c(cc(CCCCC)cc3O)OC1(C)C)C=C(CO)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -15.97

InChIKey:
XZRBPWSJHXTSSU-UHFFFAOYSA-N

ID: 48634

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)CCC2)C1(C)C(C)(C)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Miscellaneous meroterpenoids

MW: 290.403

CB1 binding score: -15.455

InChIKey:
OCOYSOSMAXLVKE-UHFFFAOYSA-N

ID: 48635

SMILES:
c1(CC)cc(O)c(C2C(C(C)=C)CCC3(C)C2C=CC2C(C)=CCOC32O)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.554

CB1 binding score: -14.867

InChIKey:
OIXNLHDOWKYQCX-UHFFFAOYSA-N

ID: 48636

SMILES:
C1(OC)CC(C)OC2C1C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -14.976

InChIKey:
WFSGMFUJWHNSPB-UHFFFAOYSA-N

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48616–48636 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