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
- 28102
- Core Entity Id
- 34422
- Source Entity Count
- 1
- Preferred Name
- Nymphone
- Name En
- Pubchem Id
- 10024919
- Smiles Canonical
- COC1=CC(=CC(=C1OC)OC)C(=O)C2COC(C2CO)C3=CC4=C(C=C3)OCO4
- Molecular Formula
- C22H24O8
- Molecular Weight
- 416.4260
- Inchikey
- IHYABEGFQYPORI-VFCRVFHLSA-N
- Inchi
- InChI=1S/C22H24O8/c1-25-18-7-13(8-19(26-2)22(18)27-3)20(24)15-10-28-21(14(15)9-23)12-4-5-16-17(6-12)30-11-29-16/h4-8,14-15,21,23H,9-11H2,1-3H3/t14-,15-,21+/m0/s1
- Isomeric Smiles
- COC1=CC(=CC(=C1OC)OC)C(=O)[C@H]2CO[C@@H]([C@H]2CO)C3=CC4=C(C=C3)OCO4
- Cas Id
- Ob Score
- Mol Logp
- 2.6200
- Num H Donors
- 1
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.6890
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Nymphone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Nymphone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Nymphone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
睡莲叶桐
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SHUI LIAN YE TONG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Sleeping Lotusleaftung
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
睡莲叶桐SHUI LIAN YE TONGSleeping Lotusleaftung
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN037609
Npass
NPC302655
Tcmid
15870
Pub Chem
10024919
Tcmbank
TCMBANKIN039965
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C22H24O8/c1-25-18-7-13(8-19(26-2)22(18)27-3)20(24)15-10-28-21(14(15)9-23)12-4-5-16-17(6-12)30-11-29-16/h4-8,14-15,21,23H,9-11H2,1-3H3/t14-,15-,21+/m0/s1
Mol Wt
416.4260000000002
Mol Log P
2.620000000000001
In Ch Ikey
IHYABEGFQYPORI-VFCRVFHLSA-N
Tcm Name
睡莲叶桐
Tcm Name2
SHUI LIAN YE TONG
Mol2 Path
/TCM_database/2007_3d_all/15879.mol2
Reference
2778
Num Hdonors
1
Tcm Name En
Sleeping Lotusleaftung
Drug Likeness
0.689
Num Hacceptors
8
Isomeric Smiles
COC1=CC(=CC(=C1OC)OC)C(=O)[C@H]2CO[C@@H]([C@H]2CO)C3=CC4=C(C=C3)OCO4
Canonical Smiles
COC1=CC(=CC(=C1OC)OC)C(=O)C2COC(C2CO)C3=CC4=C(C=C3)OCO4
Molecular Formula
C22H24O8
Num Rotatable Bonds
7