Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 12Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 26644
- Core Entity Id
- 32805
- Source Entity Count
- 1
- Preferred Name
- Moracin o
- Name En
- Pubchem Id
- 14539883
- Smiles Canonical
- CC(C)(C1CC2=C(O1)C=C3C(=C2)C=C(O3)C4=CC(=CC(=C4)O)O)O
- Molecular Formula
- C19H18O5
- Molecular Weight
- 326.3480
- Inchikey
- HMTMYIWMPJSCAZ-GOSISDBHSA-N
- Inchi
- InChI=1S/C19H18O5/c1-19(2,22)18-7-11-3-10-6-15(23-16(10)9-17(11)24-18)12-4-13(20)8-14(21)5-12/h3-6,8-9,18,20-22H,7H2,1-2H3/t18-/m1/s1
- Isomeric Smiles
- CC(C)([C@H]1CC2=C(O1)C=C3C(=C2)C=C(O3)C4=CC(=CC(=C4)O)O)O
- Cas Id
- 123702-97-6
- Ob Score
- 62.3260
- Mol Logp
- 3.5854
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6700
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Moracin O
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Moracin O
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Moracin o
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Moracin o
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
moracin O
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
moracin O
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(-)-Moracin O
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-Moracin O
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3-Benzenediol, 5-[(6R)-5,6-dihydro-6-(1-hydroxy-1-methylethyl)benzo[1,2-b:5,4-b']difuran-2-yl]-
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3-Benzenediol, 5-[(6R)-5,6-dihydro-6-(1-hydroxy-1-methylethyl)benzo[1,2-b:5,4-b']difuran-2-yl]-
Role
alias
Source
itcmdb_public
Preferred
No
Name
123702-97-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
123702-97-6
Role
alias
Source
HERB_v2
Preferred
No
Name
5-((6R)-6-(2-hydroxypropan-2-yl)-5,6-dihydrofuro(3,2-f)(1)benzofuran-2-yl)benzene-1,3-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-[(6R)-6-(2-hydroxypropan-2-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-2-yl]benzene-1,3-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1795432
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1795432
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID201317614
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID201317614
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N3244
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N3244
Role
alias
Source
HERB_v2
Preferred
No
Name
moracin o
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-Moracin O1,3-Benzenediol, 5-[(6R)-5,6-dihydro-6-(1-hydroxy-1-methylethyl)benzo[1,2-b:5,4-b']difuran-2-yl]-123702-97-65-((6R)-6-(2-hydroxypropan-2-yl)-5,6-dihydrofuro(3,2-f)(1)benzofuran-2-yl)benzene-1,3-diol5-[(6R)-6-(2-hydroxypropan-2-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-2-yl]benzene-1,3-diolCHEMBL1795432DTXSID201317614HY-N3244
Cross References
Trusted external identifiers retained for this final record.
Cas
123702-97-6
Herb
HBIN035737
Npass
NPC220582
Tcmid
32665
Tcmsp
MOL012719
Sym Map
SMIT13453
Tcm Id
2552
Pub Chem
1453988342604718
Tcmbank
TCMBANKIN034935
Etcm Ingredient
moracin O
Itcmdb Generated
ITX-INGREDIENT-E0D1BF81BCD1
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C19H18O5/c1-19(2,22)18-7-11-3-10-6-15(23-16(10)9-17(11)24-18)12-4-13(20)8-14(21)5-12/h3-6,8-9,18,20-22H,7H2,1-2H3/t18-/m1/s1
Mol Wt
326.348
Cas Id
123702-97-6
Smiles
CC(C)(C1CC2=C(O1)C=C3C(=C2)C=C(O3)C4=CC(=CC(=C4)O)O)O
Mol Log P
3.585400000000003
Version
v1,v2
In Ch Ikey
HMTMYIWMPJSCAZ-GOSISDBHSA-N
Ob Score
62.32662.3261068762.326107
Suppress
0
Num Hdonors
3
Drug Likeness
0.67
Num Hacceptors
5
Isomeric Smiles
CC(C)([C@H]1CC2=C(O1)C=C3C(=C2)C=C(O3)C4=CC(=CC(=C4)O)O)O
Molecule Weight
326.37
Canonical Smiles
CC(C)(C1CC2=C(O1)C=C3C(=C2)C=C(O3)C4=CC(=CC(=C4)O)O)O
Herb Alias Names
123702-97-6(-)-Moracin OCHEMBL17954325-[(6R)-6-(2-hydroxypropan-2-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-2-yl]benzene-1,3-diol1,3-Benzenediol, 5-[(6R)-5,6-dihydro-6-(1-hydroxy-1-methylethyl)benzo[1,2-b:5,4-b']difuran-2-yl]-MoracinO5-((6R)-6-(2-hydroxypropan-2-yl)-5,6-dihydrofuro(3,2-f)(1)benzofuran-2-yl)benzene-1,3-diolDTXSID201317614HY-N3244
Molecular Weight
326.120
Molecular Weight
326.34
Molecular Formula
C19H18O5
Molecular Formula
C19H18O5
Molecular Formula
C19H18O5
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.943
Quantitative Estimate Of Drug Likeness（Qed）
0.670