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Molecule Identifiers
Molecular Properties

ID: 47545

SMILES:
C(CCC)Cc1cc2c(c(O)c1C(=O)C)OC1(CC(=O)C=C(C)CC1)C(C=C(C)C)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.581

CB1 binding score: -14.494

InChIKey:
SNGKIJMYLSIEOL-UHFFFAOYSA-N

ID: 47546

SMILES:
c1(OC)cc(C)cc(O)c1C(=O)C1(C)C(C)(C)C(=O)C(CCCCC)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -13.612

InChIKey:
GYTSVEDZBZEFJZ-UHFFFAOYSA-N

ID: 47547

SMILES:
C(COc1cc(CCCCC)cc(O)c1)=C(C)CCC=C(CCC=C(C)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -16.832

InChIKey:
BNWJZHOKQJYRLP-UHFFFAOYSA-N

ID: 47548

SMILES:
c1(OC(C)=O)c2c(cc(CCCCC)c1O)OC(C)(C)C1OC1C=C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -15.788

InChIKey:
NZFOBNWHNIMHQZ-UHFFFAOYSA-N

ID: 47549

SMILES:
c1(C)ccc2c(c1)-c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 47550

SMILES:
C(C(c1cc2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.228

InChIKey:
LTHNZDKYIHXHDE-UHFFFAOYSA-N

ID: 47551

SMILES:
C(C)(CCC=C(C)CO)=CCc1c(O)cc(CCCCCO)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -15.374

InChIKey:
LSMXOVKQWRRREX-UHFFFAOYSA-N

ID: 47552

SMILES:
CCCCc1cc(O)c2c(c1)OC(C)(C)C1=CC(=O)C(C)(O)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -16.618

InChIKey:
ISIJEXPSZLYVOX-UHFFFAOYSA-N

ID: 47553

SMILES:
O(C1C(=C)C2C(C(C(=C)C)C1)c1c(O)cc(CCCCC)cc1O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -15.294

InChIKey:
CZGQENFTKVZNRB-UHFFFAOYSA-N

ID: 47554

SMILES:
C(CCc1cc2c(c(O)c1)C1C=C(C)CCC1C(CCC=C(C)C)(C)O2)(O)CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.668

CB1 binding score: -14.34

InChIKey:
YALXIUOTPAAGKL-UHFFFAOYSA-N

ID: 47555

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -20.541

InChIKey:
XKRHRBJLCLXSGE-UHFFFAOYSA-N

ID: 47556

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -19.106

InChIKey:
DEWSJDIJFWQLOA-UHFFFAOYSA-N

ID: 47557

SMILES:
O1C2CC(C(CO)C)C1c1c(O)cc(C(O)C(C)=CCO)cc1O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 336.384

CB1 binding score: -14.309

InChIKey:
MOXQXOVLXNKOJY-UHFFFAOYSA-N

ID: 47558

SMILES:
C1C(CCC=C(C)C)(C)Oc2cc(CCCCC)cc(O)c2C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.376

InChIKey:
AAZSXXIEAYXFSH-UHFFFAOYSA-N

ID: 47559

SMILES:
C1C(C)CC2=C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.622

InChIKey:
NEBZNJDFIPBXCS-UHFFFAOYSA-N

ID: 47560

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCCC)c2)-c2cc(O)cc(C)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.463

CB1 binding score: -12.781

InChIKey:
BVOGTDQCFQYNMK-UHFFFAOYSA-N

ID: 47561

SMILES:
C1(C(C)=C)CCC(C)=CC1c1c(O)c(C(=O)C(CC)C)cc(C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -16.241

InChIKey:
SULIBMYGQJVSSF-UHFFFAOYSA-N

ID: 47562

SMILES:
c1c(O)c(C2C=C(C)CCC2C(=C)C)c(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -19.225

InChIKey:
BEXSRXTVRHPHGL-UHFFFAOYSA-N

ID: 47563

SMILES:
C(Oc1c2c(c(CC=C(CCC=C(C)C)C)c3c(c2)OC(C)(C)CC3)c(OC(C)=O)c(C(C)C)c1)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 506.727

CB1 binding score: -14.094

InChIKey:
ABJLPTWPPNFREY-UHFFFAOYSA-N

ID: 47564

SMILES:
C1=C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 47565

SMILES:
C(CCCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1)CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -18.313

InChIKey:
PVLNRKLOZBKGQZ-UHFFFAOYSA-N

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47545–47565 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