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
- 34535
- Core Entity Id
- 41581
- Source Entity Count
- 1
- Preferred Name
- Taraxer-14-ene
- Name En
- Pubchem Id
- 102122103
- Smiles Canonical
- CC1(CCC2(CC=C3C(C2C1)(CCC4C3(C(CC5C4(CCCC5(C)C)C)O)C)C)C)C
- Molecular Formula
- C30H50O
- Molecular Weight
- 426.7290
- Inchikey
- VMWYPJXICPBUJM-XOEGDGRGSA-N
- Inchi
- InChI=1S/C30H50O/c1-25(2)16-17-27(5)14-10-20-29(7,23(27)19-25)15-11-21-28(6)13-9-12-26(3,4)22(28)18-24(31)30(20,21)8/h10,21-24,31H,9,11-19H2,1-8H3/t21-,22+,23-,24-,27+,28-,29-,30+/m1/s1
- Isomeric Smiles
- C[C@]12CCC(C[C@H]1[C@@]3(CC[C@@H]4[C@]5(CCCC([C@@H]5C[C@H]([C@]4(C3=CC2)C)O)(C)C)C)C)(C)C
- Cas Id
- Ob Score
- Mol Logp
- 8.1689
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.3870
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Taraxer-14-ene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Taraxer-14-ene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Taraxer-14-ene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
倒卵叶伏石蕨
Role
TCM_name
Source
TCMBank
Preferred
No
Name
DAO LUAN YE FU SHI JUE
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Obovateleaf Lemmaphyllum*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
倒卵叶伏石蕨DAO LUAN YE FU SHI JUEObovateleaf Lemmaphyllum*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN045540
Tcmid
20693
Pub Chem
102122103
Tcmbank
TCMBANKIN049276
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C30H50O/c1-25(2)16-17-27(5)14-10-20-29(7,23(27)19-25)15-11-21-28(6)13-9-12-26(3,4)22(28)18-24(31)30(20,21)8/h10,21-24,31H,9,11-19H2,1-8H3/t21-,22+,23-,24-,27+,28-,29-,30+/m1/s1
Mol Wt
426.7290000000002
Mol Log P
8.16890000000001
In Ch Ikey
VMWYPJXICPBUJM-XOEGDGRGSA-N
Tcm Name
倒卵叶伏石蕨
Tcm Name2
DAO LUAN YE FU SHI JUE
Mol2 Path
/TCM_database/2007_3d_all/20709.mol2
Reference
660
Num Hdonors
1
Tcm Name En
Obovateleaf Lemmaphyllum*
Drug Likeness
0.387
Num Hacceptors
1
Isomeric Smiles
C[C@]12CCC(C[C@H]1[C@@]3(CC[C@@H]4[C@]5(CCCC([C@@H]5C[C@H]([C@]4(C3=CC2)C)O)(C)C)C)C)(C)C
Canonical Smiles
CC1(CCC2(CC=C3C(C2C1)(CCC4C3(C(CC5C4(CCCC5(C)C)C)O)C)C)C)C
Molecular Formula
C30H50O
Num Rotatable Bonds
0