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Molecule Identifiers
Molecular Properties

ID: 129676

SMILES:
CC1=CC(CC(O)(C)C)Oc2c3c(c(O)cc21)C=CC(C)(CCC=C(C)C)O3

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.516

CB1 binding score: -14.671

InChIKey:
BAUHTNMQTXOBQK-UHFFFAOYSA-N

ID: 129677

SMILES:
C1(C)(C)Oc2c(ccc(C)c2)C2(C)C1CC=C2C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -16.79

InChIKey:
IVWCOXXVTORBES-UHFFFAOYSA-N

ID: 129678

SMILES:
C(C)(=CC#CC1(C)OC(=O)C23C(C)(C4C(CC4)c4c(O)cc(C)cc4OC2OC3)C(OC(=O)C)C1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 494.584

CB1 binding score: -13.153

InChIKey:
WYYMKGVUHSIPHQ-UHFFFAOYSA-N

ID: 129679

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 129680

SMILES:
CCCCCCCc1c2c(ccc1C)C(=O)OC(C)(C)C1CC23CCC1C3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -15.914

InChIKey:
PWMLEERYPXOBIJ-UHFFFAOYSA-N

ID: 129681

SMILES:
C(CCC(C)=CCc1c(O)cc(CCCCC)cc1OC)=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.49

InChIKey:
KASVLYINZPAMNS-UHFFFAOYSA-N

ID: 129682

SMILES:
c1(O)cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 129683

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 129684

SMILES:
C(OCCc1ccc(OC(C)=O)c(C2C=C(COCC)CCC2C(C)=C)c1)(=O)C=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.58

CB1 binding score: -13.929

InChIKey:
GJUJRVYITAQVRG-UHFFFAOYSA-N

ID: 129685

SMILES:
C1CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2CC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -17.655

InChIKey:
RQXYOTLEEDTWOM-UHFFFAOYSA-N

ID: 129686

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C(O)C2)C=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -15.384

InChIKey:
OXBPVHPBCJOEEH-UHFFFAOYSA-N

ID: 129687

SMILES:
C1(C)(C)CCCC23c4c(O)cc(CCCCC)cc4OC(C)(C)C2CC13C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -17.974

InChIKey:
IHACOQQOFBZOHB-UHFFFAOYSA-N

ID: 129688

SMILES:
CC(CCc1c(OC2C(=O)C(CO)=C(OC)CC2)cc2c(c1)OC(C)(C)C=C2)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.542

CB1 binding score: -15.642

InChIKey:
ZKGXKYIEPYWHMA-UHFFFAOYSA-N

ID: 129689

SMILES:
c12cc(CCCCC)cc(O)c1C1CC(C)(O2)CC(O)C2C(C)(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -14.416

InChIKey:
XHDFYUJPOCRXSQ-UHFFFAOYSA-N

ID: 129690

SMILES:
c12c(c(O)ccc1O)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -18.988

InChIKey:
FDECQIAQAVZRFF-UHFFFAOYSA-N

ID: 129691

SMILES:
C1(C(C)=C)C(c2c(O)ccc(CCCCC)c2)CC(CO)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -12.579

InChIKey:
JQFYZTSTVSJITI-UHFFFAOYSA-N

ID: 129692

SMILES:
C(CCC(=CCCC1(C)C=Cc2c(O)cc(CCCCC)cc2O1)C)(C)(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.576

CB1 binding score: -16.25

InChIKey:
UIHOMXCNRROYTC-UHFFFAOYSA-N

ID: 129693

SMILES:
c12c(cc(CCC=CC)c(C)c1)OC(C)(CCC1C(C)(C)O1)C=C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -9.268

InChIKey:
QYHVTTIXDGVOQB-UHFFFAOYSA-N

ID: 129694

SMILES:
C1(C)=CC(c2c(O)cc(CCC)cc2O)C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 129695

SMILES:
C1C=C(C)C(Cc2c(OC(C)=O)cc(OC(C)=O)cc2CC=C(C)CCC=C(C)C)C1=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 438.564

CB1 binding score: -13.257

InChIKey:
NTKSXCJRLRUFIZ-UHFFFAOYSA-N

ID: 129696

SMILES:
C(c1cc(O)c2c(c1)C1C(C)(C)CCCC1(C)O2)CCCCCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.593

CB1 binding score: -15.959

InChIKey:
DRUHUUNDQBHPKX-UHFFFAOYSA-N

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129676–129696 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