ITCMDBv1
IngredientID 3745

3,9-dihydroxypterocarp-6a-ene

C15H10O4

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Herb: 1Ingredient: 1Links: 1
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
3745
Core Entity Id
7349
Source Entity Count
1
Preferred Name
3,9-dihydroxypterocarp-6a-ene
Name En
Pubchem Id
442667
Smiles Canonical
C1C2=C(C3=C(O1)C=C(C=C3)O)OC4=C2C=CC(=C4)O
Molecular Formula
C15H10O4
Molecular Weight
254.2410
Inchikey
WYIDBNAGSMCMET-UHFFFAOYSA-N
Inchi
InChI=1S/C15H10O4/c16-8-2-4-11-13(5-8)18-7-12-10-3-1-9(17)6-14(10)19-15(11)12/h1-6,16-17H,7H2
Isomeric Smiles
C1C2=C(C3=C(O1)C=C(C=C3)O)OC4=C2C=CC(=C4)O
Cas Id
Ob Score
Mol Logp
3.4034
Num H Donors
2
Num H Acceptors
4
Num Rotatable Bonds
0
Drug Likeness
0.6450
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
3,9-Dihydroxypterocarp-6a-ene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3,9-dihydroxypterocarp-6a-ene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3,9-dihydroxypterocarp-6a-ene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
同形裂片胡枝子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
TONG XING LIE PIAN HU ZHI ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Homoloba Lespedeza*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
3,9-Dihydroxypterocarpen
Role
alias
Source
HERB_v2
Preferred
No
Name
3,9-Dihydroxypterocarpen
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,9-Dihydroxypterocarpene
Role
alias
Source
HERB_v2
Preferred
No
Name
3,9-Dihydroxypterocarpene
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,9-dihydroxypterocarp-6a-en
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,9-dihydroxypterocarp-6a-en
Role
alias
Source
HERB_v2
Preferred
No
Name
67685-22-7
Role
alias
Source
HERB_v2
Preferred
No
Name
67685-22-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
6H-Benzofuro(3,2-C)(1)benzopyran-3,9-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
6H-Benzofuro[3,2-c][1]benzopyran-3,9-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
6H-[1]benzofuro[3,2-c]chromene-3,9-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
6H-[1]benzofuro[3,2-c]chromene-3,9-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
Anhydroglycinol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Anhydroglycinol
Role
alias
Source
HERB_v2
Preferred
No
Name
HN0S549OLN
Role
alias
Source
itcmdb_public
Preferred
No
Name
HN0S549OLN
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-HN0S549OLN
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-HN0S549OLN
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

同形裂片胡枝子TONG XING LIE PIAN HU ZHI ZIHomoloba Lespedeza*3,9-Dihydroxypterocarpen3,9-Dihydroxypterocarpene3,9-dihydroxypterocarp-6a-en67685-22-76H-Benzofuro(3,2-C)(1)benzopyran-3,9-diol6H-Benzofuro[3,2-c][1]benzopyran-3,9-diol6H-[1]benzofuro[3,2-c]chromene-3,9-diolAnhydroglycinolHN0S549OLNUNII-HN0S549OLN

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN007846
Npass
NPC101429
Tcmid
6104
Pub Chem
442667
Tcmbank
TCMBANKIN043942

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C15H10O4/c16-8-2-4-11-13(5-8)18-7-12-10-3-1-9(17)6-14(10)19-15(11)12/h1-6,16-17H,7H2
Mol Wt
254.241
Mol Log P
3.403400000000001
In Ch Ikey
WYIDBNAGSMCMET-UHFFFAOYSA-N
Tcm Name
同形裂片胡枝子
Tcm Name2
TONG XING LIE PIAN HU ZHI ZI
Mol2 Path
/TCM_database/2007_3d_all/06105.mol2
Reference
2356
Num Hdonors
2
Tcm Name En
Homoloba Lespedeza*
Drug Likeness
0.645
Num Hacceptors
4
Isomeric Smiles
C1C2=C(C3=C(O1)C=C(C=C3)O)OC4=C2C=CC(=C4)O
Canonical Smiles
C1C2=C(C3=C(O1)C=C(C=C3)O)OC4=C2C=CC(=C4)O
Herb Alias Names
Anhydroglycinol67685-22-73,9-dihydroxypterocarp-6a-en6H-[1]benzofuro[3,2-c]chromene-3,9-diol6H-Benzofuro[3,2-c][1]benzopyran-3,9-diol3,9-DihydroxypterocarpeneHN0S549OLN6H-Benzofuro(3,2-C)(1)benzopyran-3,9-diolUNII-HN0S549OLN3,9-Dihydroxypterocarpen
Molecular Formula
C15H10O4
Num Rotatable Bonds
0