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Molecule Identifiers
Molecular Properties

ID: 131566

SMILES:
C1(=C)C(C)=C2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c1C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.49

CB1 binding score: -14.991

InChIKey:
CRNDIDFKUZWQHF-UHFFFAOYSA-N

ID: 131567

SMILES:
CCCCCc1cc2c(cc1C)OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.497

CB1 binding score: -16.642

InChIKey:
RWRUWLYAAAHGGL-UHFFFAOYSA-N

ID: 131568

SMILES:
C(C(C)=CCC1Oc2cc(CCCCC)cc(O)c2C(C)(C)C1=O)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: Not available

InChIKey:
RJEKDEOHAHOCRV-UHFFFAOYSA-N

ID: 131569

SMILES:
O1C(=O)C(CCC=C(CO)C)=C(C(CC(C)C)c2c(O)cc(CCCCC)cc2O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.585

CB1 binding score: -15.568

InChIKey:
CRZDXSNTPGENAD-UHFFFAOYSA-N

ID: 131570

SMILES:
CC(C)C12C(c3c(OC)cc(CCCCC)cc3OC(C)(C)C1C)C(C)CC=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.631

CB1 binding score: -12.167

InChIKey:
HNCPMYLZLWUXRO-UHFFFAOYSA-N

ID: 131571

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -17.036

InChIKey:
VJVSAUGSVUDPEW-UHFFFAOYSA-N

ID: 131572

SMILES:
C(CCc1cc(O)c2c(c1)OC1(C)C(C(C(C)C)CCC1C)C2)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.566

CB1 binding score: -13.957

InChIKey:
CGDQBYZMFYOJSN-UHFFFAOYSA-N

ID: 131573

SMILES:
c12c(cccc1)C(CCC=C(C)C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.529

CB1 binding score: -14.77

InChIKey:
RSMARIWDZIZDEO-UHFFFAOYSA-N

ID: 131574

SMILES:
C1C=C(C)CC2C1C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 131575

SMILES:
C12(O)C(C)CCC1C(C)(C)Oc1cc(CCCCCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.538

CB1 binding score: -18.31

InChIKey:
VUYZDONDTRBKTM-UHFFFAOYSA-N

ID: 131576

SMILES:
C1C2(C(C)C)Oc3c(c(O)cc(C)c3)C2C=C(C)CCC=C(C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -16.424

InChIKey:
JDYJOESUFXFWNM-UHFFFAOYSA-N

ID: 131577

SMILES:
C1(C)=CCCC2(C)C1Cc1c(O)cc(C)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -15.883

InChIKey:
SIEMNWSGUWXQSD-UHFFFAOYSA-N

ID: 131578

SMILES:
C(c1oc(=O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -17.305

InChIKey:
MBYZPLBWHYZOGH-UHFFFAOYSA-N

ID: 131579

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C3C(C)CCC3C(=C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -16.124

InChIKey:
YIXQFOJHHLCCHF-UHFFFAOYSA-N

ID: 131580

SMILES:
O=C(OC1C(C)=CC2c3c(cc(CCCC)cc3O)OC(C)(C)C2C1)C(=CCCC(C)(C)O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 470.65

CB1 binding score: -15.562

InChIKey:
HJWYATYWGFPHFJ-UHFFFAOYSA-N

ID: 131581

SMILES:
C(C)CCCc1cc(O)c(C2CC(C)=CCC2C(CO)=C)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -13.282

InChIKey:
AJKUUBJOCFKPKX-UHFFFAOYSA-N

ID: 131582

SMILES:
C(CCc1cc(O)c2c(c1)C=CC(CCC=C(C)C)(C)O2)(=O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -14.515

InChIKey:
ULHHKDFUIYKUMC-UHFFFAOYSA-N

ID: 131583

SMILES:
Oc1cc(CCCCC)cc2c1OC1(C)C(C)(O2)CCC(C)=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -11.046

InChIKey:
SNABDPOXEMARQW-UHFFFAOYSA-N

ID: 131584

SMILES:
CC(=CCc1c2c(cc(CCCCC)c1)OC(C)(C)c1c-2cc(C)cc1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.557

CB1 binding score: -14.536

InChIKey:
BIGGHGYSPMRHNA-UHFFFAOYSA-N

ID: 131585

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.805

InChIKey:
CDBDULHNWQRYSY-UHFFFAOYSA-N

ID: 131586

SMILES:
C12CCC=C1c1c(cc(CCC)cc1O)OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -14.98

InChIKey:
ANFOUFWCQSCHOA-UHFFFAOYSA-N

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131566–131586 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