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
- 7870
- Core Entity Id
- 11922
- Source Entity Count
- 1
- Preferred Name
- 6-o-cis-p-coumaroyl-3alpha-o-methyl-7-deoxy-rehmaglutin a
- Name En
- Pubchem Id
- 11245385
- Smiles Canonical
- COC1CC2C(CC3(C2C(O1)OC3)O)OC(=O)C=CC4=CC=C(C=C4)O
- Molecular Formula
- C19H22O7
- Molecular Weight
- 362.3780
- Inchikey
- IAAABTPANVNWIO-WETUQPGDSA-N
- Inchi
- InChI=1S/C19H22O7/c1-23-16-8-13-14(9-19(22)10-24-18(26-16)17(13)19)25-15(21)7-4-11-2-5-12(20)6-3-11/h2-7,13-14,16-18,20,22H,8-10H2,1H3/b7-4-/t13-,14+,16+,17+,18-,19+/m0/s1
- Isomeric Smiles
- CO[C@H]1C[C@H]2[C@@H](C[C@@]3([C@H]2[C@H](O1)OC3)O)OC(=O)/C=C\C4=CC=C(C=C4)O
- Cas Id
- Ob Score
- Mol Logp
- 1.4335
- Num H Donors
- 2
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.6180
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6-o-cis-p-coumaroyl-3alpha-o-methyl-7-deoxy-rehmaglutin a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
6-o-cis-p-coumaroyl-3alpha-o-methyl-7-deoxy-rehmaglutin a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
6-o-trans-p-coumaroyl-3alpha-o-methyl-7-deoxy-rehmaglutin a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
6-o-cis-p-coumaroyl-3beta-o-methyl-7-deoxy-rehmaglutin a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
6-o-trans-p-coumaroyl-3beta-o-methyl-7-deoxy-rehmaglutin a
Role
preferred
Source
HERB_v2
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
6-o-trans-p-coumaroyl-3alpha-o-methyl-7-deoxy-rehmaglutin a6-o-cis-p-coumaroyl-3beta-o-methyl-7-deoxy-rehmaglutin a6-o-trans-p-coumaroyl-3beta-o-methyl-7-deoxy-rehmaglutin a
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012656HBIN012721HBIN012657HBIN012722
Tcmid
4171417341724174
Pub Chem
11245385111875851124538611245387
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H22O7/c1-23-16-8-13-14(9-19(22)10-24-18(26-16)17(13)19)25-15(21)7-4-11-2-5-12(20)6-3-11/h2-7,13-14,16-18,20,22H,8-10H2,1H3/b7-4-/t13-,14+,16+,17+,18-,19+/m0/s1
Mol Wt
362.378
Mol Log P
1.4335
In Ch Ikey
IAAABTPANVNWIO-WETUQPGDSA-N
Num Hdonors
2
Drug Likeness
0.618
Num Hacceptors
7
Isomeric Smiles
CO[C@H]1C[C@H]2[C@@H](C[C@@]3([C@H]2[C@H](O1)OC3)O)OC(=O)/C=C\C4=CC=C(C=C4)O
Canonical Smiles
COC1CC2C(CC3(C2C(O1)OC3)O)OC(=O)C=CC4=CC=C(C=C4)O
Molecular Formula
C19H22O7
Num Rotatable Bonds
4