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Molecule Identifiers
Molecular Properties

ID: 84064

SMILES:
CC1=CC2C(C(C)(C)Oc3cc(OC)ccc32)CC1=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.344

CB1 binding score: -16.715

InChIKey:
NGHLBEOTZHKYTR-UHFFFAOYSA-N

ID: 84065

SMILES:
C12=C(OC(C)(C)C3CC=C(C)C(O)C31)C(=O)C(C(=O)C(CC)C)=C2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.423

CB1 binding score: -17.052

InChIKey:
YTIJAZRIXMXTHR-UHFFFAOYSA-N

ID: 84066

SMILES:
Oc1cc(S(=O)C)cc2c1-c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.502

CB1 binding score: -14.654

InChIKey:
MGJKWIQTWJOKFV-UHFFFAOYSA-N

ID: 84067

SMILES:
C(O)(CCC(=CCc1c(O)c(C(=O)O)c(CCCCC)c(O)c1O)C)=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 392.492

CB1 binding score: -12.264

InChIKey:
IMIYONGKEKUPTC-UHFFFAOYSA-N

ID: 84068

SMILES:
C1C2(c3c(cc(CCCCC)cc3O)OC2(C)C)C2C(=CCC3C(C)(C)CCCC32C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.68

CB1 binding score: -15.621

InChIKey:
NAIHFGTYKXSYFL-UHFFFAOYSA-N

ID: 84069

SMILES:
C(CC)Cc1cc(O)c(C2C=C(C)CCC2C(C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -18.479

InChIKey:
QHFVULIOBFWRAD-UHFFFAOYSA-N

ID: 84070

SMILES:
C1=C(CCCC(CCC(Oc2cc(CCCCC)cc(O)c2)C)C)COC(C=C(C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.684

CB1 binding score: -17.067

InChIKey:
AOCAWFYZLZWAAG-UHFFFAOYSA-N

ID: 84071

SMILES:
C1C(C)=CCOc2cc(CCCCC)cc(O)c21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -17.746

InChIKey:
QCKNYSXUMGCZGA-UHFFFAOYSA-N

ID: 84072

SMILES:
CC1(C)Oc2cc(CCC)cc(O)c2C2C=C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.321

InChIKey:
ZROLHBHDLIHEMS-UHFFFAOYSA-N

ID: 84073

SMILES:
c1(O)c(C(C(C)C)=O)c2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=CCCC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.57

CB1 binding score: -15.929

InChIKey:
PXPQTVKEQJTSTM-UHFFFAOYSA-N

ID: 84074

SMILES:
O(C(=O)CCC)c1c(CCCCC)cc2c(c1O)C1CC(C)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -13.894

InChIKey:
CWJFILVOHVYXCW-UHFFFAOYSA-N

ID: 84075

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 84076

SMILES:
CC(=CCCC1(C)Oc2cc(CCCCC)c(C(=O)O)cc2C=C1O)CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.477

CB1 binding score: -14.463

InChIKey:
JJHLITLJIJBPGP-UHFFFAOYSA-N

ID: 84077

SMILES:
C=C(C)C1C2(C)C(=CCCC2(O)C)c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -14.705

InChIKey:
VOISORSOTKAQJM-UHFFFAOYSA-N

ID: 84078

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 344.495

CB1 binding score: -18.585

InChIKey:
WIXPCHIMOONVHR-UHFFFAOYSA-N

ID: 84079

SMILES:
C1(C)=CCC2C(C1)c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 84080

SMILES:
CC(=CCCC(=CCc1c(O)cc(CCCCCO)c(O)c1)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -16.658

InChIKey:
PXRDJXZJMUVFCP-UHFFFAOYSA-N

ID: 84081

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(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: 84082

SMILES:
C1(O)(C)C2CC=C(C)CC2c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -17.243

InChIKey:
QTGRWAAXZFBAFE-UHFFFAOYSA-N

ID: 84083

SMILES:
C(CCC)Cc1cc(O)c(C2C=C(C)C(O)CC2=O)cc1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -16.792

InChIKey:
IBWDNHWMUQPIDL-UHFFFAOYSA-N

ID: 84084

SMILES:
CC(CCCCCCc1cc2c(c(O)c1)C1C(C(C)=C)CCC1(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -15.076

InChIKey:
FTGVTCDKKDXTLP-UHFFFAOYSA-N

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84064–84084 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