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
- 29154
- Core Entity Id
- 35592
- Source Entity Count
- 1
- Preferred Name
- Parvifolol a
- Name En
- Pubchem Id
- 10928798
- Smiles Canonical
- C1=CC(=CC=C1C2C3C(C(C4=C3C=C(C=C4O)O)C5=CC(=CC(=C5)O)O)C6=C(O2)C=C(C=C6)O)O
- Molecular Formula
- C28H22O7
- Molecular Weight
- 470.4770
- Inchikey
- HHCRXJSIODUTQN-SATIQFTFSA-N
- Inchi
- InChI=1S/C28H22O7/c29-15-3-1-13(2-4-15)28-27-21-10-19(33)11-22(34)25(21)24(14-7-17(31)9-18(32)8-14)26(27)20-6-5-16(30)12-23(20)35-28/h1-12,24,26-34H/t24-,26-,27-,28+/m1/s1
- Isomeric Smiles
- C1=CC(=CC=C1[C@H]2[C@H]3[C@@H]([C@@H](C4=C3C=C(C=C4O)O)C5=CC(=CC(=C5)O)O)C6=C(O2)C=C(C=C6)O)O
- Cas Id
- Ob Score
- Mol Logp
- 5.0668
- Num H Donors
- 6
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.2410
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Parvifolol A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Parvifolol A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Parvifolol a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Parvifolol a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
小叶买麻藤
Role
TCM_name
Source
TCMBank
Preferred
No
Name
XIAO YE MAI MA TENG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Smallleaf Jointfir
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Parvifolol b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
parvifolol b
Role
preferred
Source
TCMBank
Preferred
Yes
Name
361444-40-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
Gnetuhainin S
Role
alias
Source
itcmdb_public
Preferred
No
Name
GnetuhaininS
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
小叶买麻藤XIAO YE MAI MA TENGSmallleaf JointfirParvifolol b361444-40-8Gnetuhainin SGnetuhaininS
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN038890HBIN038891
Npass
NPC306465
Tcmid
1667616677
Pub Chem
1092879811016150
Tcmbank
TCMBANKIN048384TCMBANKIN047450
Etcm Ingredient
Parvifolol A
Itcmdb Generated
ITX-INGREDIENT-D5A23D48B225
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C28H22O7/c29-15-3-1-13(2-4-15)28-27-21-10-19(33)11-22(34)25(21)24(14-7-17(31)9-18(32)8-14)26(27)20-6-5-16(30)12-23(20)35-28/h1-12,24,26-34H/t24-,26-,27-,28+/m1/s1
Mol Wt
470.4770000000001
Smiles
C1=CC(=CC=C1C2C3C(C(C4=C3C=C(C=C4O)O)C5=CC(=CC(=C5)O)O)C6=C(O2)C=C(C=C6)O)O
Mol Log P
5.066800000000008
In Ch Ikey
HHCRXJSIODUTQN-SATIQFTFSA-N
Tcm Name
小叶买麻藤
Tcm Name2
XIAO YE MAI MA TENG
Mol2 Path
/TCM_database/2007_3d_all/16688.mol2
Reference
3550
Num Hdonors
6
Tcm Name En
Smallleaf Jointfir
Drug Likeness
0.241
Num Hacceptors
7
Isomeric Smiles
C1=CC(=CC=C1[C@H]2[C@H]3[C@@H]([C@@H](C4=C3C=C(C=C4O)O)C5=CC(=CC(=C5)O)O)C6=C(O2)C=C(C=C6)O)O
Canonical Smiles
C1=CC(=CC=C1C2C3C(C(C4=C3C=C(C=C4O)O)C5=CC(=CC(=C5)O)O)C6=C(O2)C=C(C=C6)O)O
Molecular Weight
470.140
Molecular Weight
470.5 g/mol
Molecular Formula
C28H22O7
Molecular Formula
C28H22O7
Molecular Formula
C28H22O7
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.951
Quantitative Estimate Of Drug Likeness（Qed）
0.241