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
- 20808
- Core Entity Id
- 26309
- Source Entity Count
- 1
- Preferred Name
- Guangsangon l
- Name En
- Pubchem Id
- 10073682
- Smiles Canonical
- CC1=CC(C(C(C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C=C(C=C3)O)O)C4=C(C=C(C(=C4)C=O)O)O
- Molecular Formula
- C27H24O8
- Molecular Weight
- 476.4810
- Inchikey
- QCPFZAFDSWGNMR-YZIHRLCOSA-N
- Inchi
- InChI=1S/C27H24O8/c1-13-6-20(17-4-2-15(29)9-23(17)32)26(27(35)18-5-3-16(30)10-24(18)33)21(7-13)19-8-14(12-28)22(31)11-25(19)34/h2-5,7-12,20-21,26,29-34H,6H2,1H3/t20-,21+,26-/m1/s1
- Isomeric Smiles
- CC1=C[C@H]([C@@H]([C@H](C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C=C(C=C3)O)O)C4=C(C=C(C(=C4)C=O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 4.4492
- Num H Donors
- 6
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.1790
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Guangsangon L
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Guangsangon L
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Guangsangon l
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Guangsangon l
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
奶桑
Role
TCM_name
Source
TCMBank
Preferred
No
Name
NAI SANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Long-tail Mulberry*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
5-[(1R,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxybenzaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
5-[(1R,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxybenzaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
832733-41-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
832733-41-2
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:65983
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:65983
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27134483
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27134483
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
奶桑NAI SANGLong-tail Mulberry*5-[(1R,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxybenzaldehyde832733-41-2CHEBI:65983Q27134483
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN028511
Npass
NPC211276
Tcmid
9063
Pub Chem
10073682
Tcmbank
TCMBANKIN046671
Etcm Ingredient
Guangsangon L
Itcmdb Generated
ITX-INGREDIENT-FF65D906AFC8
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C27H24O8/c1-13-6-20(17-4-2-15(29)9-23(17)32)26(27(35)18-5-3-16(30)10-24(18)33)21(7-13)19-8-14(12-28)22(31)11-25(19)34/h2-5,7-12,20-21,26,29-34H,6H2,1H3/t20-,21+,26-/m1/s1
Mol Wt
476.4810000000002
Mol Log P
4.449200000000007
In Ch Ikey
QCPFZAFDSWGNMR-YZIHRLCOSA-N
Tcm Name
奶桑
Tcm Name2
NAI SANG
Mol2 Path
/TCM_database/2007_3d_all/09064.mol2
Reference
2570
Num Hdonors
6
Tcm Name En
Long-tail Mulberry*
Drug Likeness
0.179
Num Hacceptors
8
Isomeric Smiles
CC1=C[C@H]([C@@H]([C@H](C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C=C(C=C3)O)O)C4=C(C=C(C(=C4)C=O)O)O
Canonical Smiles
CC1=CC(C(C(C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C=C(C=C3)O)O)C4=C(C=C(C(=C4)C=O)O)O
Herb Alias Names
CHEBI:659835-[(1R,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxybenzaldehyde5-((1R,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl)-2,4-dihydroxybenzaldehydeQ27134483832733-41-2
Molecular Weight
506.160
Molecular Weight
476.5 g/mol
Molecular Formula
C28H26O9
Molecular Formula
C27H24O8
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.941
Quantitative Estimate Of Drug Likeness（Qed）
0.193