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Molecule Identifiers
Molecular Properties

ID: 141478

SMILES:
C1(c2cc(C=CC(C)CCCC(C)C)cc(O)c2)C=C(C)CCC1C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.589

CB1 binding score: Not available

InChIKey:
QSILTNSEBQBTBG-UHFFFAOYSA-N

ID: 141479

SMILES:
c1(OC)cc2c(cc1OC)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -19.512

InChIKey:
XSVIAZSLVNZZSQ-UHFFFAOYSA-N

ID: 141480

SMILES:
c1c(CCCCC)cc(O)c(CC=C(CCC=C([CH])C)C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids;Aromatic polyketides

Class: Cannabinoids;Catechols with side chains

MW: 298.47

CB1 binding score: -16.888

InChIKey:
LRMXECOSDANIKS-UHFFFAOYSA-N

ID: 141481

SMILES:
C=C(C)C1C(c2cc(CCCCC)cc(O)c2)C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -19.107

InChIKey:
AKCTZOKCVCWTGX-UHFFFAOYSA-N

ID: 141482

SMILES:
C(O)(Cc1c(O)c(C2C=C(C)CCC2C(C)=C)c(O)cc1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -16.957

InChIKey:
ZFDOSNALKVFFNR-UHFFFAOYSA-N

ID: 141483

SMILES:
CC1(C)C2CC=C(C(=O)O)CC2c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -18.707

InChIKey:
OGXXAQFMAFTSRU-UHFFFAOYSA-N

ID: 141484

SMILES:
C(C1=CC2c3c(O)c(C(C)C(=O)CC)c(O)cc3OC(C)(C)C2CC1)(=O)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.433

CB1 binding score: -15.934

InChIKey:
YGTWKUDGOSTKDM-UHFFFAOYSA-N

ID: 141485

SMILES:
O=C1C(C)=CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -17.892

InChIKey:
WBFVHFCVGUDTNV-UHFFFAOYSA-N

ID: 141486

SMILES:
CCCCCc1cc2c(c(O)c1)C1C(=C(C)C)C3C(C(C)(O3)C1)CCC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -15.057

InChIKey:
AXICJGMAMSTOGG-UHFFFAOYSA-N

ID: 141487

SMILES:
c12cc(CCCO)cc(O)c1-c1c(cc(CCCCC)cc1O)OC(C)(C)C2=C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.527

CB1 binding score: -15.337

InChIKey:
NYWNNWSSWXUUDV-UHFFFAOYSA-N

ID: 141488

SMILES:
C1C2(C)Oc3cc(C)cc(O)c3C2C2C1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -14.167

InChIKey:
CXKOSGMLIXLSEG-UHFFFAOYSA-N

ID: 141489

SMILES:
C1(C)(C)C2(CC(CC(=O)C)O)C(C)(CC(=O)C1)Oc1c(c(OC)cc(CCCCC)c1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 444.612

CB1 binding score: -12.599

InChIKey:
ZPYYVDBOMFTZSX-UHFFFAOYSA-N

ID: 141490

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.399

CB1 binding score: -19.892

InChIKey:
IHDZBQSJFRBIMW-UHFFFAOYSA-N

ID: 141491

SMILES:
C(C1CC=C(C)C=C1c1c(O)cc(CCCCCO)cc1O)(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -13.522

InChIKey:
XBJNRGNXKXHPKJ-UHFFFAOYSA-N

ID: 141492

SMILES:
CC1(C)CC2=C(C1)c1c(cc(CCCCC)cc1O)OC2CO

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -13.31

InChIKey:
QARHNYRJIZRUAL-UHFFFAOYSA-N

ID: 141493

SMILES:
c1c(C)cc(OC)c2c1OC(CCC(C(O)(C)C)=C)(C)C=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -12.895

InChIKey:
BBSDKICEUPMCLD-UHFFFAOYSA-N

ID: 141494

SMILES:
C1(C(CCC=C(C)C)=C)CC(C)C(=O)C1c1c(O)cc(CCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -15.2

InChIKey:
CPAMQEIUCPWVJU-UHFFFAOYSA-N

ID: 141495

SMILES:
O(c1c(CC=C(C)CCC=C(C)C)c(O)cc(CCCCC)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.49

InChIKey:
KASVLYINZPAMNS-UHFFFAOYSA-N

ID: 141496

SMILES:
Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 141497

SMILES:
c12c(c(C)ccc1)C(C)(C)Oc1cccc(CCCCCC(O)=O)c1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 352.474

CB1 binding score: -14.179

InChIKey:
KQMZFFLTANYZIH-UHFFFAOYSA-N

ID: 141498

SMILES:
C(CCC(C)(O)C=Cc1c(O)cc(CCCCC)cc1O)=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -16.588

InChIKey:
RADFVDCYRSRYKU-UHFFFAOYSA-N

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141478–141498 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