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
- 26623
- Core Entity Id
- 32782
- Source Entity Count
- 1
- Preferred Name
- (+)-mopanol
- Name En
- Pubchem Id
- 11335647
- Smiles Canonical
- C1C2=C(C=CC(=C2O)O)C3C(O1)C(C4=C(O3)C=C(C=C4)O)O
- Molecular Formula
- C16H14O6
- Molecular Weight
- 302.2820
- Inchikey
- AQPFFYOIRKEBDI-OAGGEKHMSA-N
- Inchi
- InChI=1S/C16H14O6/c17-7-1-2-9-12(5-7)22-15-8-3-4-11(18)13(19)10(8)6-21-16(15)14(9)20/h1-5,14-20H,6H2/t14-,15-,16+/m1/s1
- Isomeric Smiles
- C1C2=C(C=CC(=C2O)O)[C@@H]3[C@@H](O1)[C@@H](C4=C(O3)C=C(C=C4)O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.8693
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5540
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(+)-mopanol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+)-mopanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(+)-mopanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(6aS,7R,12aR)-5,6a,7,12a-tetrahydroisochromeno(4,3-b)chromene-3,4,7,10-tetrol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(6aS,7R,12aR)-5,6a,7,12a-tetrahydroisochromeno[4,3-b]chromene-3,4,7,10-tetrol
Role
alias
Source
HERB_v2
Preferred
No
Name
17093-54-8
Role
alias
Source
HERB_v2
Preferred
No
Name
17093-54-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12020224
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12020224
Role
alias
Source
itcmdb_public
Preferred
No
Name
Mopanan-4alpha-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
Mopanan-4alpha-ol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(6aS,7R,12aR)-5,6a,7,12a-tetrahydroisochromeno(4,3-b)chromene-3,4,7,10-tetrol(6aS,7R,12aR)-5,6a,7,12a-tetrahydroisochromeno[4,3-b]chromene-3,4,7,10-tetrol17093-54-8LMPK12020224Mopanan-4alpha-ol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN035711
Npass
NPC73850
Tcmid
14941
Pub Chem
11335647
Tcmbank
TCMBANKIN044326
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H14O6/c17-7-1-2-9-12(5-7)22-15-8-3-4-11(18)13(19)10(8)6-21-16(15)14(9)20/h1-5,14-20H,6H2/t14-,15-,16+/m1/s1
Mol Wt
302.282
Smiles
C1C2=C(C=CC(=C2O)O)C3C(O1)C(C4=C(O3)C=C(C=C4)O)O
Mol Log P
1.8693
In Ch Ikey
AQPFFYOIRKEBDI-OAGGEKHMSA-N
Mol2 Path
/TCM_database/2007_3d_all/14949.mol2
Reference
4086
Num Hdonors
4
Drug Likeness
0.554
Num Hacceptors
6
Isomeric Smiles
C1C2=C(C=CC(=C2O)O)[C@@H]3[C@@H](O1)[C@@H](C4=C(O3)C=C(C=C4)O)O
Canonical Smiles
C1C2=C(C=CC(=C2O)O)C3C(O1)C(C4=C(O3)C=C(C=C4)O)O
Herb Alias Names
Mopanan-4alpha-ol(6aS,7R,12aR)-5,6a,7,12a-tetrahydroisochromeno[4,3-b]chromene-3,4,7,10-tetrol(6aS,7R,12aR)-5,6a,7,12a-tetrahydroisochromeno(4,3-b)chromene-3,4,7,10-tetrol17093-54-8LMPK12020224
Molecular Formula
C16H14O6
Molecular Formula
C16H14O6
Num Rotatable Bonds
0