Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1362
- Core Entity Id
- 4707
- Source Entity Count
- 1
- Preferred Name
- 2,7-dihyoxy-3,4-dimethoxy-9,10-dihydrophenanthrene
- Name En
- Pubchem Id
- 10401022
- Smiles Canonical
- COC1=C(C=C2CCC3=C(C2=C1OC)C=CC(=C3)O)O
- Molecular Formula
- C16H16O4
- Molecular Weight
- 272.3000
- Inchikey
- NWPBSPADEDDKAO-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H16O4/c1-19-15-13(18)8-10-4-3-9-7-11(17)5-6-12(9)14(10)16(15)20-2/h5-8,17-18H,3-4H2,1-2H3
- Isomeric Smiles
- COC1=C(C=C2CCC3=C(C2=C1OC)C=CC(=C3)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.8806
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.8820
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2, 7-Dihyoxy-3, 4-Dimethoxy-9, 10- Dihydrophenanthrene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2, 7-dihyoxy-3, 4-dimethoxy-9, 10- dihydrophenanthrene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,7-dihyoxy-3,4-dimethoxy-9,10-dihydrophenanthrene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2,7-dihyoxy-3,4-dimethoxy-9,10-dihydrophenanthrene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
101508-48-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
101508-48-9
Role
alias
Source
HERB_v2
Preferred
No
Name
2,7-Phenanthrenediol, 9,10-dihydro-3,4-dimethoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
2,7-Phenanthrenediol, 9,10-dihydro-3,4-dimethoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,4-dimethoxy-9,10-dihydrophenanthrene-2,7-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
3,4-dimethoxy-9,10-dihydrophenanthrene-2,7-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
9,10-dihydro-2,7-dihydroxy-3,4-dimethoxyphenanthrene
Role
alias
Source
HERB_v2
Preferred
No
Name
9,10-dihydro-2,7-dihydroxy-3,4-dimethoxyphenanthrene
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL253982
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL253982
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID601318052
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID601318052
Role
alias
Source
itcmdb_public
Preferred
No
Name
erianthridin
Role
alias
Source
HERB_v2
Preferred
No
Name
erianthridin
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2, 7-Dihyoxy-3, 4-Dimethoxy-9, 10- Dihydrophenanthrene101508-48-92,7-Phenanthrenediol, 9,10-dihydro-3,4-dimethoxy-3,4-dimethoxy-9,10-dihydrophenanthrene-2,7-diol9,10-dihydro-2,7-dihydroxy-3,4-dimethoxyphenanthreneCHEMBL253982DTXSID601318052erianthridin
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005022
Npass
NPC108198
Tcmid
41951
Sym Map
SMIT20465
Pub Chem
10401022
Tcmbank
TCMBANKIN006883
Itcmdb Generated
ITX-INGREDIENT-ED9A67016C54
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H16O4/c1-19-15-13(18)8-10-4-3-9-7-11(17)5-6-12(9)14(10)16(15)20-2/h5-8,17-18H,3-4H2,1-2H3
Mol Wt
272.3
Smiles
COC1=C(C=C2CCC3=C(C2=C1OC)C=CC(=C3)O)O
Mol Log P
2.880600000000002
Version
v2
In Ch Ikey
NWPBSPADEDDKAO-UHFFFAOYSA-N
Suppress
0
Num Hdonors
2
Drug Likeness
0.882
Num Hacceptors
4
Isomeric Smiles
COC1=C(C=C2CCC3=C(C2=C1OC)C=CC(=C3)O)O
Canonical Smiles
COC1=C(C=C2CCC3=C(C2=C1OC)C=CC(=C3)O)O
Herb Alias Names
erianthridin101508-48-93,4-dimethoxy-9,10-dihydrophenanthrene-2,7-diol2,7-Phenanthrenediol, 9,10-dihydro-3,4-dimethoxy-9,10-dihydro-2,7-dihydroxy-3,4-dimethoxyphenanthreneCHEMBL253982DTXSID601318052
Molecular Formula
C16H16O4
Molecular Formula
C16H16O4
Num Rotatable Bonds
2