Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 25718
- Core Entity Id
- 31782
- Source Entity Count
- 1
- Preferred Name
- Matteucinin
- Name En
- Pubchem Id
- 11972404
- Smiles Canonical
- CC1=C(C2=C(C(=C1OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O)C)OC(CC2=O)C5=CC=C(C=C5)OC)O
- Molecular Formula
- C30H38O15
- Molecular Weight
- 638.6190
- Inchikey
- GWGCLAPQWQQBET-KFUISGQDSA-N
- Inchi
- InChI=1S/C30H38O15/c1-11-20(33)19-15(32)8-16(13-4-6-14(40-3)7-5-13)42-28(19)12(2)27(11)45-30-26(39)24(37)22(35)18(44-30)10-41-29-25(38)23(36)21(34)17(9-31)43-29/h4-7,16-18,21-26,29-31,33-39H,8-10H2,1-3H3/t16-,17+,18+,21+,22+,23-,24-,25+,26+,29+,30-/m0/s1
- Isomeric Smiles
- CC1=C(C2=C(C(=C1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)C)O[C@@H](CC2=O)C5=CC=C(C=C5)OC)O
- Cas Id
- Ob Score
- Mol Logp
- -1.2730
- Num H Donors
- 8
- Num H Acceptors
- 15
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.1680
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Matteucinin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Matteucinin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Matteucinin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
matteucinin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
杜鹃花;杜鹃花叶
Role
TCM_name
Source
TCMBank
Preferred
No
Name
DU JUAN HUA;DU JUAN HUA YE
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Indian Azalea;Indian Azalea Leaf
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
杜鹃花;杜鹃花叶DU JUAN HUA;DU JUAN HUA YEIndian Azalea;Indian Azalea Leaf
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN034562
Npass
NPC9270
Tcmid
13603
Tcm Id
232882798
Pub Chem
11972404
Tcmbank
TCMBANKIN026671TCMBANKIN051042
Etcm Ingredient
Matteucinin
Itcmdb Generated
ITX-INGREDIENT-25E7E5F6E5B8ITX-INGREDIENT-B083B834D7B6
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C30H38O15/c1-11-20(33)19-15(32)8-16(13-4-6-14(40-3)7-5-13)42-28(19)12(2)27(11)45-30-26(39)24(37)22(35)18(44-30)10-41-29-25(38)23(36)21(34)17(9-31)43-29/h4-7,16-18,21-26,29-31,33-39H,8-10H2,1-3H3/t16-,17+,18+,21+,22+,23-,24-,25+,26+,29+,30-/m0/s1
Mol Wt
638.6190000000003
Smiles
CC1=C(C2=C(C(=C1OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O)C)OC(CC2=O)C5=CC=C(C=C5)OC)O
Mol Log P
-1.272959999999998
In Ch Ikey
GWGCLAPQWQQBET-KFUISGQDSA-N
Tcm Name
杜鹃花;杜鹃花叶
Tcm Name2
DU JUAN HUA;DU JUAN HUA YE
Mol2 Path
/TCM_database/2003_3d_all/5239.mol2
Reference
6, 658
Num Hdonors
8
Tcm Name En
Indian Azalea;Indian Azalea Leaf
Drug Likeness
0.168
Num Hacceptors
15
Isomeric Smiles
CC1=C(C2=C(C(=C1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)C)O[C@@H](CC2=O)C5=CC=C(C=C5)OC)O
Canonical Smiles
CC1=C(C2=C(C(=C1OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O)C)OC(CC2=O)C5=CC=C(C=C5)OC)O
Molecular Weight
638.220
Molecular Weight
0
Molecular Formula
C30H38O15
Molecular Formula
C30H38O15
Molecular Formula
C30H38O15
Num Rotatable Bonds
8
Fda Maximum Daily Dose (Fdamdd)
0.006
Quantitative Estimate Of Drug Likeness（Qed）
0.168